3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

C11H8N6 — CID 114040622

IUPAC3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(Cn3cccn3)nnc2c1
InChIInChI=1S/C11H8N6/c12-7-9-2-5-17-10(6-9)14-15-11(17)8-16-4-1-3-13-16/h1-6H,8H2
InChIKeyBDDLNOGDPHSTCE-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.85
Rot. Bonds2

About 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 114040622) has the molecular formula C11H8N6 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID114040622
Molecular FormulaC11H8N6
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(Cn3cccn3)nnc2c1
InChIInChI=1S/C11H8N6/c12-7-9-2-5-17-10(6-9)14-15-11(17)8-16-4-1-3-13-16/h1-6H,8H2
InChIKeyBDDLNOGDPHSTCE-UHFFFAOYSA-N
XLogP0.85
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393209
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393074
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392994
4-[[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]benzonitrile
CID 72878939
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 114040622) is 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccn2c(Cn3cccn3)nnc2c1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is BDDLNOGDPHSTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6/c12-7-9-2-5-17-10(6-9)14-15-11(17)8-16-4-1-3-13-16/h1-6H,8H2.
What are the key properties of 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 224.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 114040622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).