N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C15H17ClN4O2 — CID 75526901

IUPACN-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)NCc1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c16-12-6-2-1-5-11(12)9-17-14(21)10-20-15(22)19-8-4-3-7-13(19)18-20/h1-2,5-6H,3-4,7-10H2,(H,17,21)
InChIKeyPMTZYGZMUCYWAU-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.35
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 75526901) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID75526901
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESO=C(Cn1nc2n(c1=O)CCCC2)NCc1ccccc1Cl
InChIInChI=1S/C15H17ClN4O2/c16-12-6-2-1-5-11(12)9-17-14(21)10-20-15(22)19-8-4-3-7-13(19)18-20/h1-2,5-6H,3-4,7-10H2,(H,17,21)
InChIKeyPMTZYGZMUCYWAU-UHFFFAOYSA-N
XLogP1.35
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide 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 N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 75526901) is N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is O=C(Cn1nc2n(c1=O)CCCC2)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is PMTZYGZMUCYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-12-6-2-1-5-11(12)9-17-14(21)10-20-15(22)19-8-4-3-7-13(19)18-20/h1-2,5-6H,3-4,7-10H2,(H,17,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 75526901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).