3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile

C13H9N5 — CID 82556414

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C13H9N5/c14-8-9-2-1-3-10(6-9)11-4-5-18-12(7-11)16-13(15)17-18/h1-7H,(H2,15,17)
InChIKeyYQIXNHKLKNFWIG-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.85
Rot. Bonds1

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile (PubChem CID 82556414) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
PubChem CID82556414
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C13H9N5/c14-8-9-2-1-3-10(6-9)11-4-5-18-12(7-11)16-13(15)17-18/h1-7H,(H2,15,17)
InChIKeyYQIXNHKLKNFWIG-UHFFFAOYSA-N
XLogP1.85
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile (CID 82556414) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile is N#Cc1cccc(-c2ccn3nc(N)nc3c2)c1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile?
The InChIKey is YQIXNHKLKNFWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-8-9-2-1-3-10(6-9)11-4-5-18-12(7-11)16-13(15)17-18/h1-7H,(H2,15,17).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile is sourced from PubChem (CID 82556414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).