3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

C13H6N6 — CID 105393065

IUPAC3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccc(-c2nnc3cc(C#N)ccn23)nc1
InChIInChI=1S/C13H6N6/c14-6-9-3-4-19-12(5-9)17-18-13(19)11-2-1-10(7-15)8-16-11/h1-5,8H
InChIKeyBADDFMGWNNMQSB-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.53
Rot. Bonds1

About 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105393065) has the molecular formula C13H6N6 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105393065
Molecular FormulaC13H6N6
Molecular Weight246.23 g/mol
Exact Mass246.07
IUPAC Name3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccc(-c2nnc3cc(C#N)ccn23)nc1
InChIInChI=1S/C13H6N6/c14-6-9-3-4-19-12(5-9)17-18-13(19)11-2-1-10(7-15)8-16-11/h1-5,8H
InChIKeyBADDFMGWNNMQSB-UHFFFAOYSA-N
XLogP1.53
TPSA90.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393115
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393186
3-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881
3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393103
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-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393137
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105393065) is 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccc(-c2nnc3cc(C#N)ccn23)nc1.
What is the InChIKey of 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is BADDFMGWNNMQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N6/c14-6-9-3-4-19-12(5-9)17-18-13(19)11-2-1-10(7-15)8-16-11/h1-5,8H.
What are the key properties of 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 246.23 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105393065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).