2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

C15H12N4O2 — CID 82567315

IUPAC2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESCOc1cc(OC)cc(-c2nc3ccc(C#N)cn3n2)c1
InChIInChI=1S/C15H12N4O2/c1-20-12-5-11(6-13(7-12)21-2)15-17-14-4-3-10(8-16)9-19(14)18-15/h3-7,9H,1-2H3
InChIKeyNDQVWRDMDFYCMK-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.29
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 82567315) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID82567315
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESCOc1cc(OC)cc(-c2nc3ccc(C#N)cn3n2)c1
InChIInChI=1S/C15H12N4O2/c1-20-12-5-11(6-13(7-12)21-2)15-17-14-4-3-10(8-16)9-19(14)18-15/h3-7,9H,1-2H3
InChIKeyNDQVWRDMDFYCMK-UHFFFAOYSA-N
XLogP2.29
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile 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

methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567167
2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566386
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117130737
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060343
4-methoxy(13C)benzonitrile
CID 175991125
7-(4-cyanophenyl)-2-(3,5-dimethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135723411
4-[6-[[4-[(3S)-hex-4-yn-3-yl]phenoxy]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]benzonitrile
CID 152642655
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060349
2-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567201
4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile
CID 176614135
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392508

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (CID 82567315) is 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is COc1cc(OC)cc(-c2nc3ccc(C#N)cn3n2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is NDQVWRDMDFYCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-20-12-5-11(6-13(7-12)21-2)15-17-14-4-3-10(8-16)9-19(14)18-15/h3-7,9H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 82567315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).