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

C15H12N4O2 — CID 82567442

IUPAC2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3cccc(C#N)n3n2)cc1OC
InChIInChI=1S/C15H12N4O2/c1-20-12-7-6-10(8-13(12)21-2)15-17-14-5-3-4-11(9-16)19(14)18-15/h3-8H,1-2H3
InChIKeyVEEQYKWKVJDTBK-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.29
Rot. Bonds3

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

2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 82567442) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID82567442
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3cccc(C#N)n3n2)cc1OC
InChIInChI=1S/C15H12N4O2/c1-20-12-7-6-10(8-13(12)21-2)15-17-14-5-3-4-11(9-16)19(14)18-15/h3-8H,1-2H3
InChIKeyVEEQYKWKVJDTBK-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

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Related Compounds

2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567404
2-(2-bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567451
2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile
CID 82567403
6-amino-2-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 116862627
2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82566821
2-(4-fluorophenyl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117133134
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
7-(3,4-dimethoxyphenyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56921229
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444439
2-chloro-6-(3,4-dimethoxyphenyl)pyrimidine-4-carbonitrile
CID 39374773
4-(3,4-dimethoxyphenyl)-2-fluorobenzonitrile
CID 59689087
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile (CID 82567442) is 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile is COc1ccc(-c2nc3cccc(C#N)n3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
The InChIKey is VEEQYKWKVJDTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-20-12-7-6-10(8-13(12)21-2)15-17-14-5-3-4-11(9-16)19(14)18-15/h3-8H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile?
2-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-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-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 82567442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).