3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile

C14H9N5 — CID 10192780

IUPAC3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2ncn(-c3ccccn3)n2)c1
InChIInChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)14-17-10-19(18-14)13-6-1-2-7-16-13/h1-8,10H
InChIKeyWCSKMYJKMYMTMV-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.20
Rot. Bonds2

About 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile

3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile (PubChem CID 10192780) has the molecular formula C14H9N5 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile
PubChem CID10192780
Molecular FormulaC14H9N5
Molecular Weight247.26 g/mol
Exact Mass247.09
IUPAC Name3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2ncn(-c3ccccn3)n2)c1
InChIInChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)14-17-10-19(18-14)13-6-1-2-7-16-13/h1-8,10H
InChIKeyWCSKMYJKMYMTMV-UHFFFAOYSA-N
XLogP2.20
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile?
The IUPAC name of 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile (CID 10192780) is 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile.
What is the SMILES notation for 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile?
The canonical SMILES for 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile is N#Cc1cccc(-c2ncn(-c3ccccn3)n2)c1.
What is the InChIKey of 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile?
The InChIKey is WCSKMYJKMYMTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5/c15-9-11-4-3-5-12(8-11)14-17-10-19(18-14)13-6-1-2-7-16-13/h1-8,10H.
What are the key properties of 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile?
3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile has a molecular weight of 247.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-yl-1,2,4-triazol-3-yl)benzonitrile is sourced from PubChem (CID 10192780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).