3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile

C15H13N5O — CID 43065474

IUPAC3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile
SMILESN#Cc1cccc(NCCn2nc3ccccn3c2=O)c1
InChIInChI=1S/C15H13N5O/c16-11-12-4-3-5-13(10-12)17-7-9-20-15(21)19-8-2-1-6-14(19)18-20/h1-6,8,10,17H,7,9H2
InChIKeyAZLSGMWJNKHULF-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.48
Rot. Bonds4

About 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile

3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile (PubChem CID 43065474) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile
PubChem CID43065474
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile
SMILESN#Cc1cccc(NCCn2nc3ccccn3c2=O)c1
InChIInChI=1S/C15H13N5O/c16-11-12-4-3-5-13(10-12)17-7-9-20-15(21)19-8-2-1-6-14(19)18-20/h1-6,8,10,17H,7,9H2
InChIKeyAZLSGMWJNKHULF-UHFFFAOYSA-N
XLogP1.48
TPSA75.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile?
The IUPAC name of 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile (CID 43065474) is 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile is N#Cc1cccc(NCCn2nc3ccccn3c2=O)c1.
What is the InChIKey of 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile?
The InChIKey is AZLSGMWJNKHULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-11-12-4-3-5-13(10-12)17-7-9-20-15(21)19-8-2-1-6-14(19)18-20/h1-6,8,10,17H,7,9H2.
What are the key properties of 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile?
3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile has a molecular weight of 279.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 43065474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).