35523-67-2 ((5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one)

CAS号:
35523-67-2
英文名称:
5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
分子式:
C6H6N4O
分子量:
150.138040065765

5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one(35523-67-2)名称与标识符

名称

英文别名:
6-methyl-4-oxo-1,3,3a,7-tetrazaindene;5-methyl-(1,2,4)Triazolo(1,5-A)pyrimidin-7(1H)-one;5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;MLS000038744;(1,2,4)Triazolo(1,5-a)pyrimidin-7(1H)-one, 5-methyl-;s-Triazolo(1,5-a)pyrimidin-7-ol, 5-methyl-;STK324860;5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4h)-one;cid_75629;Pyrimidin-7-ol, 5-methyl-S-triazolo-[1,5-a]-;NS00045880;AKOS000121606;5-METHYL-3H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE;SY036135;5-Methyl-7-hydroxy-1,3,4-triazindolizine;5-Methyl-s-triazolo[1,5-a]pyrimidine-7-ol;5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one;NSC-32071;5-METHYL-S-TRIAZOLO[1,5-A]PYRIMIDIN-7-OL;5-methyl-7-oxo-(1,2,4)triazolo(1,5-a)pyrimidine;SR-01000525938;5-Methyl-7-hydroxy-S-triazolo-4-(1,5a)pyrimidine (Sta salz);Methyl hydroxytriazaindolizine;s-Triazolo[1, 5-methyl-;5-METHYL(1,2,4)TRIAZOLO(1,5-A)PYRIMIDIN-7-OL;NSC 2603562;MLS000541721;UPDDI-00398590;7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;AKOS015918168;5-Methyl-7-hydroxy-1,3,4-triazaindolizine;HMS2561C07;NCGC00020700-02;TRAPIDIL IMPURITY A [EP IMPURITY];STK741622;5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol #;W-107268;CCG-52856;AS-15617;AKOS005363133;F0907-7614;HMS1664K09;5-Methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-ol;5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one;DTXSID2074035;SCHEMBL272835;STK676258;NSC 511493;[1,2,4]Triazolo[1,5-a]pyrimidin-7(1H)-one, 5-methyl-;Maybridge1_002273;SMR000034070;DTXSID8051918;7-Hydroxy-5-methyl-1,3,4-triazaindolizine;SDCCGMLS-0000503.P002;DB-046607;AM807111;(1,2,4)Triazolo(1,5-a)pyrimidin-7-ol, 5-methyl-;EN300-25051;CC-PMLSC-PW-03AACA011;5-Methyl-7-hydroxy-s-triazolo[1,5-a]pyrimidine;H0273;SR-01000525938-2;NSC32071;NSC 32071;4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine;DB-153125;5-Methyl-s-triazolo-(1.5)-pyrimidine-7-ol;5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one;SCHEMBL15083750;5-methyl-[1,2,4]triazolo[1,5- a]pyrimidin-7(4H)-one;AKOS000266637;J13JT2L1BY;US10975084, Example 8-4;7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine, 98%;HMS547P07;SR-01000525938-1;NCGC00020700-01;Trapidil impurity A, European Pharmacopoeia (EP) Reference Standard;5-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;UNII-J13JT2L1BY;4-hydroxy-6-methyl-1,3,3a,7-tetraazaindene;5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;MFCD00005555;F0451-0049;[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-;BDBM492402;Z57722870;5-Methyl-s-triazolo(1,5-a)pyrimidin-7-ol;4H-[1,2,4]Triazolo[1,5-a]pyrimidin-7-one, 5-methyl-;35523-67-2;5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one;5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol;BDBM56006;112801-35-1;Trapidil impurity A;BTB 10447;NCGC00020700-03;NSC511493;CS-0081100;7-Hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine;EINECS 219-706-7;NSC-511493;CHEMBL1717603;5-Methyl-7-hydroxy-1,4-triazaindolizine;NCIOpen2_003740;2503-56-2;[1,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-methyl-;5-Methyl-(1,2,4)triazolo(1,5-a)pyrimidin-7-ol;

标识符

MDL:
MFCD01545501
InChIKey:
INVVMIXYILXINW-UHFFFAOYSA-N
Inchi:
1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3H,1H3,(H,7,8,9)
SMILES:
O=C1C=C(C)N=C2N=CNN21

5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one(35523-67-2)物化性质

实验特性

  • PSA : 57.06

计算特性

  • 精确分子量 : 150.05428
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 150.05416083g/mol
  • 重原子数量 : 11
  • 复杂度 : 302
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.5
  • 拓扑分子极性表面积 : 57.1Ų

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