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

C8H5ClN4 — CID 55267420

IUPAC3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(CCl)nnc2c1
InChIInChI=1S/C8H5ClN4/c9-4-8-12-11-7-3-6(5-10)1-2-13(7)8/h1-3H,4H2
InChIKeyPUYPRCQRPQETQH-UHFFFAOYSA-N
MW192.61 g/mol
LogP1.34
Rot. Bonds1

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

3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 55267420) has the molecular formula C8H5ClN4 and a molecular weight of 192.61 g/mol. Its IUPAC name is 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID55267420
Molecular FormulaC8H5ClN4
Molecular Weight192.61 g/mol
Exact Mass192.02
IUPAC Name3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(CCl)nnc2c1
InChIInChI=1S/C8H5ClN4/c9-4-8-12-11-7-3-6(5-10)1-2-13(7)8/h1-3H,4H2
InChIKeyPUYPRCQRPQETQH-UHFFFAOYSA-N
XLogP1.34
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 114040622
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-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881
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
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393103

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 55267420) is 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccn2c(CCl)nnc2c1.
What is the InChIKey of 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is PUYPRCQRPQETQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4/c9-4-8-12-11-7-3-6(5-10)1-2-13(7)8/h1-3H,4H2.
What are the key properties of 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 192.61 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 55267420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).