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

C15H12N4O2 — CID 105392647

IUPAC3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCOc1ccc(OC)c(-c2nnc3ccc(C#N)cn23)c1
InChIInChI=1S/C15H12N4O2/c1-20-11-4-5-13(21-2)12(7-11)15-18-17-14-6-3-10(8-16)9-19(14)15/h3-7,9H,1-2H3
InChIKeyZYGWEVCBKVRLQI-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.29
Rot. Bonds3

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

3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392647) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392647
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCOc1ccc(OC)c(-c2nnc3ccc(C#N)cn23)c1
InChIInChI=1S/C15H12N4O2/c1-20-11-4-5-13(21-2)12(7-11)15-18-17-14-6-3-10(8-16)9-19(14)15/h3-7,9H,1-2H3
InChIKeyZYGWEVCBKVRLQI-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-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 82060349
3-(2,3-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392740
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392508
3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392541
3-[2-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392853
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 82117371
3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 4730548
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
3-quinoxalin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392570
3-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162667738
3-(1,2-oxazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392803
3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393137

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392647) is 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is COc1ccc(OC)c(-c2nnc3ccc(C#N)cn23)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is ZYGWEVCBKVRLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-20-11-4-5-13(21-2)12(7-11)15-18-17-14-6-3-10(8-16)9-19(14)15/h3-7,9H,1-2H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-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 3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).