2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

C12H13ClN4O — CID 43698496

IUPAC2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2ccccc2NC(=O)C(C)Cl)n[nH]1
InChIInChI=1S/C12H13ClN4O/c1-7(13)12(18)15-10-6-4-3-5-9(10)11-14-8(2)16-17-11/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyOXQXFIIHEZQVCT-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.35
Rot. Bonds3

About 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide

2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (PubChem CID 43698496) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
PubChem CID43698496
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
SMILESCc1nc(-c2ccccc2NC(=O)C(C)Cl)n[nH]1
InChIInChI=1S/C12H13ClN4O/c1-7(13)12(18)15-10-6-4-3-5-9(10)11-14-8(2)16-17-11/h3-7H,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyOXQXFIIHEZQVCT-UHFFFAOYSA-N
XLogP2.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropanoic acid
CID 114897949
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 47423979
(2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902793
5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-5-oxopentanoic acid
CID 60942165
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 60841888
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
5-bromo-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-3-carboxamide
CID 60956125
1-(aminomethyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 115452444
4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 86776880
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139378
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylaniline
CID 43694606

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide (CID 43698496) is 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is Cc1nc(-c2ccccc2NC(=O)C(C)Cl)n[nH]1.
What is the InChIKey of 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
The InChIKey is OXQXFIIHEZQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7(13)12(18)15-10-6-4-3-5-9(10)11-14-8(2)16-17-11/h3-7H,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide?
2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide has a molecular weight of 264.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 43698496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).