2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

C15H12N4 — CID 82567164

IUPAC2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2nc(CCc3ccccc3)nc2c1
InChIInChI=1S/C15H12N4/c16-11-13-8-9-19-15(10-13)17-14(18-19)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2
InChIKeyWPNSRBIJFIMSHQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 82567164) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID82567164
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2nc(CCc3ccccc3)nc2c1
InChIInChI=1S/C15H12N4/c16-11-13-8-9-19-15(10-13)17-14(18-19)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2
InChIKeyWPNSRBIJFIMSHQ-UHFFFAOYSA-N
XLogP2.39
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567151
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952
2-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567201
2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567152
2-(4-tert-butylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567186
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567167
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
CID 82556414
3-[[5-(2-phenylethyl)tetrazol-1-yl]methyl]benzonitrile
CID 84759377
2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965732
3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile
CID 149388971
4-(8-phenyloctyl)benzonitrile
CID 21257462

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile (CID 82567164) is 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is N#Cc1ccn2nc(CCc3ccccc3)nc2c1.
What is the InChIKey of 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is WPNSRBIJFIMSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c16-11-13-8-9-19-15(10-13)17-14(18-19)7-6-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2.
What are the key properties of 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile?
2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 82567164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).