5-methyl-2H-1,2,3-triazole-4-carboxylic acid

5-methyl-2H-1,2,3-triazole-4-carboxylic acid

CAS: 832737-27-6

Formula: C4H5N3O2

SMILES: CC1=NNN=C1C(O)=O

IUPAC: 5-methyl-2H-1,2,3-triazole-4-carboxylic acid

InChI: InChI=1S/C4H5N3O2/c1-2-3(4(8)9)6-7-5-2/h1H3,(H,8,9)(H,5,6,7)

Composition: C (37.80%), H (3.97%), N (33.06%), O (25.17%)

Molar Mass: 127.103

Atom Count: 14

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	127.038176413
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VCFOEWURSYAGKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	30.15
Topological Polar Surface Area	78.87
Polarizability	10.55
Ring Count	1
Rotatable Bond Count	1

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