ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate

ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate

CAS: 40253-47-2

Formula: C6H9N3O2

SMILES: CCOC(=O)C1=NNC(C)=N1

IUPAC: ethyl 5-methyl-1H-1,2,4-triazole-3-carboxylate

InChI: InChI=1S/C6H9N3O2/c1-3-11-6(10)5-7-4(2)8-9-5/h3H2,1-2H3,(H,7,8,9)

Composition: C (46.45%), H (5.85%), N (27.08%), O (20.62%)

Molar Mass: 155.157

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	155.069476542
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	TXHKICGVVGEHBN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.79
Topological Polar Surface Area	67.87
Polarizability	14.4
Ring Count	1
Rotatable Bond Count	3

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