3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

C9H8N4 — CID 105392928

IUPAC3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCCc1nnc2cc(C#N)ccn12
InChIInChI=1S/C9H8N4/c1-2-8-11-12-9-5-7(6-10)3-4-13(8)9/h3-5H,2H2,1H3
InChIKeyNFDZHVRUCBNDEV-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.16
Rot. Bonds1

About 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105392928) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105392928
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCCc1nnc2cc(C#N)ccn12
InChIInChI=1S/C9H8N4/c1-2-8-11-12-9-5-7(6-10)3-4-13(8)9/h3-5H,2H2,1H3
InChIKeyNFDZHVRUCBNDEV-UHFFFAOYSA-N
XLogP1.16
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
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-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
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-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392994
3-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105392928) is 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is CCc1nnc2cc(C#N)ccn12.
What is the InChIKey of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is NFDZHVRUCBNDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-2-8-11-12-9-5-7(6-10)3-4-13(8)9/h3-5H,2H2,1H3.
What are the key properties of 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105392928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).