5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile

C13H11ClN4O2 — CID 134473865

IUPAC5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile
SMILESN#Cc1cc(Cl)c(-n2nc3n(c2=O)CCCC3)cc1O
InChIInChI=1S/C13H11ClN4O2/c14-9-5-8(7-15)11(19)6-10(9)18-13(20)17-4-2-1-3-12(17)16-18/h5-6,19H,1-4H2
InChIKeyASXVCJXSRFJMBU-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.60
Rot. Bonds1

About 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile

5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile (PubChem CID 134473865) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile
PubChem CID134473865
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile
SMILESN#Cc1cc(Cl)c(-n2nc3n(c2=O)CCCC3)cc1O
InChIInChI=1S/C13H11ClN4O2/c14-9-5-8(7-15)11(19)6-10(9)18-13(20)17-4-2-1-3-12(17)16-18/h5-6,19H,1-4H2
InChIKeyASXVCJXSRFJMBU-UHFFFAOYSA-N
XLogP1.60
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile?
The IUPAC name of 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile (CID 134473865) is 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile?
The canonical SMILES for 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile is N#Cc1cc(Cl)c(-n2nc3n(c2=O)CCCC3)cc1O.
What is the InChIKey of 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile?
The InChIKey is ASXVCJXSRFJMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-9-5-8(7-15)11(19)6-10(9)18-13(20)17-4-2-1-3-12(17)16-18/h5-6,19H,1-4H2.
What are the key properties of 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile?
5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile has a molecular weight of 290.71 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 134473865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).