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

C14H10N4S — CID 105393115

IUPAC3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCSc1ccc(-c2nnc3cc(C#N)ccn23)cc1
InChIInChI=1S/C14H10N4S/c1-19-12-4-2-11(3-5-12)14-17-16-13-8-10(9-15)6-7-18(13)14/h2-8H,1H3
InChIKeyZFKFCCZJFMISRV-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.99
Rot. Bonds2

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

3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105393115) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105393115
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESCSc1ccc(-c2nnc3cc(C#N)ccn23)cc1
InChIInChI=1S/C14H10N4S/c1-19-12-4-2-11(3-5-12)14-17-16-13-8-10(9-15)6-7-18(13)14/h2-8H,1H3
InChIKeyZFKFCCZJFMISRV-UHFFFAOYSA-N
XLogP2.99
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393093
3-(3-chloro-4-iodophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103217881
3-(3-bromo-5-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393186
3-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392943
3-(5-cyano-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393065
3-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 103130033
4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 83394379
3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393133
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzonitrile
CID 139230149
3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393103
3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393137

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105393115) is 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is CSc1ccc(-c2nnc3cc(C#N)ccn23)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is ZFKFCCZJFMISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-19-12-4-2-11(3-5-12)14-17-16-13-8-10(9-15)6-7-18(13)14/h2-8H,1H3.
What are the key properties of 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105393115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).