7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C15H11ClN4 — CID 1487628

IUPAC7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCCc1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1
InChIInChI=1S/C15H11ClN4/c1-2-14-18-15-13(9-17)12(7-8-20(15)19-14)10-3-5-11(16)6-4-10/h3-8H,2H2,1H3
InChIKeyOLQULCXTQSWWNL-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.48
Rot. Bonds2

About 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 1487628) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID1487628
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCCc1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1
InChIInChI=1S/C15H11ClN4/c1-2-14-18-15-13(9-17)12(7-8-20(15)19-14)10-3-5-11(16)6-4-10/h3-8H,2H2,1H3
InChIKeyOLQULCXTQSWWNL-UHFFFAOYSA-N
XLogP3.48
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 1487628) is 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is CCc1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1.
What is the InChIKey of 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is OLQULCXTQSWWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c1-2-14-18-15-13(9-17)12(7-8-20(15)19-14)10-3-5-11(16)6-4-10/h3-8H,2H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 282.73 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 1487628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).