4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile

C15H10N4O — CID 176614135

IUPAC4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile
SMILESCC(=O)c1ccn2nc(-c3ccc(C#N)cc3)nc2c1
InChIInChI=1S/C15H10N4O/c1-10(20)13-6-7-19-14(8-13)17-15(18-19)12-4-2-11(9-16)3-5-12/h2-8H,1H3
InChIKeyZEWBAAPTTIPMCI-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.47
Rot. Bonds2

About 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile

4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile (PubChem CID 176614135) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile
PubChem CID176614135
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile
SMILESCC(=O)c1ccn2nc(-c3ccc(C#N)cc3)nc2c1
InChIInChI=1S/C15H10N4O/c1-10(20)13-6-7-19-14(8-13)17-15(18-19)12-4-2-11(9-16)3-5-12/h2-8H,1H3
InChIKeyZEWBAAPTTIPMCI-UHFFFAOYSA-N
XLogP2.47
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile?
The IUPAC name of 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile (CID 176614135) is 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile?
The canonical SMILES for 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile is CC(=O)c1ccn2nc(-c3ccc(C#N)cc3)nc2c1.
What is the InChIKey of 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile?
The InChIKey is ZEWBAAPTTIPMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c1-10(20)13-6-7-19-14(8-13)17-15(18-19)12-4-2-11(9-16)3-5-12/h2-8H,1H3.
What are the key properties of 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile?
4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-acetyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 176614135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).