6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile

C8H5N5 — CID 64587234

IUPAC6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2cncn2)n1
InChIInChI=1S/C8H5N5/c9-4-7-2-1-3-8(12-7)13-6-10-5-11-13/h1-3,5-6H
InChIKeyPSAGPEARRIAGFX-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.53
Rot. Bonds1

About 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile

6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile (PubChem CID 64587234) has the molecular formula C8H5N5 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile
PubChem CID64587234
Molecular FormulaC8H5N5
Molecular Weight171.16 g/mol
Exact Mass171.05
IUPAC Name6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2cncn2)n1
InChIInChI=1S/C8H5N5/c9-4-7-2-1-3-8(12-7)13-6-10-5-11-13/h1-3,5-6H
InChIKeyPSAGPEARRIAGFX-UHFFFAOYSA-N
XLogP0.53
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile (CID 64587234) is 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile is N#Cc1cccc(-n2cncn2)n1.
What is the InChIKey of 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is PSAGPEARRIAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5/c9-4-7-2-1-3-8(12-7)13-6-10-5-11-13/h1-3,5-6H.
What are the key properties of 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile?
6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 64587234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).