ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate

C12H12N6O2 — CID 141267410

IUPACethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cn[nH]n2)c(C#N)c1N
InChIInChI=1S/C12H12N6O2/c1-3-20-12(19)9-6(2)16-11(7(4-13)10(9)14)8-5-15-18-17-8/h5H,3H2,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyMETSQKDYPGYWPM-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.81
Rot. Bonds3

About ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate

ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate (PubChem CID 141267410) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate
PubChem CID141267410
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Nameethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cn[nH]n2)c(C#N)c1N
InChIInChI=1S/C12H12N6O2/c1-3-20-12(19)9-6(2)16-11(7(4-13)10(9)14)8-5-15-18-17-8/h5H,3H2,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeyMETSQKDYPGYWPM-UHFFFAOYSA-N
XLogP0.81
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate
CID 174550540
ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)pyridine-3-carboxylate
CID 45104906
ethyl 5-amino-4-cyanopyridine-3-carboxylate
CID 131116989
ethyl 4-amino-5-cyano-2-(4-methylphenyl)-6-methylsulfonylpyridine-3-carboxylate
CID 139215560
ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347
ethyl 3-amino-2,4-dicyano-5,6-diphenylbenzoate
CID 139180404
diethyl 4-amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylate
CID 102230049
ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate
CID 15599062
ethyl 5-cyano-6-[(3-cyano-5-ethoxycarbonyl-6-methyl-4-pyridin-4-yl-2-pyridinyl)diazenyl]-2-methyl-4-pyridin-4-ylpyridine-3-carboxylate
CID 70675449
ethyl 5-cyano-4-(4-hydroxyphenyl)-6-methoxy-2-methylpyridine-3-carboxylate
CID 139227066
ethyl 4-ethyl-2-(2H-triazol-4-yl)pyrimidine-5-carboxylate
CID 102972829
methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate
CID 20703479

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate (CID 141267410) is ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate is CCOC(=O)c1c(C)nc(-c2cn[nH]n2)c(C#N)c1N.
What is the InChIKey of ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate?
The InChIKey is METSQKDYPGYWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-3-20-12(19)9-6(2)16-11(7(4-13)10(9)14)8-5-15-18-17-8/h5H,3H2,1-2H3,(H2,14,16)(H,15,17,18).
What are the key properties of ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate?
ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate has a molecular weight of 272.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-cyano-2-methyl-6-(2H-triazol-4-yl)pyridine-3-carboxylate is sourced from PubChem (CID 141267410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).