7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 438031-05-1

Formula: C7H6N4O2

SMILES: CC1=CC=NC2=NC(=NN12)C(O)=O

IUPAC: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C7H6N4O2/c1-4-2-3-8-7-9-5(6(12)13)10-11(4)7/h2-3H,1H3,(H,12,13)

Composition: C (47.19%), H (3.39%), N (31.45%), O (17.96%)

Molar Mass: 178.151

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	178.049075449
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HIMHCANUPPOVPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.67
Topological Polar Surface Area	80.38
Polarizability	15.77
Ring Count	2
Rotatable Bond Count	1

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