(E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide

C18H16N4O — CID 57400910

IUPAC(E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-14(10-8-13)11-12-16(23)19-18-20-17(21-22-18)15-5-3-2-4-6-15/h2-12H,1H3,(H2,19,20,21,22,23)/b12-11+
InChIKeyMOMUXVUOAPAQLS-VAWYXSNFSA-N
MW304.35 g/mol
LogP3.43
Rot. Bonds4

About (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide

(E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (PubChem CID 57400910) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
PubChem CID57400910
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O/c1-13-7-9-14(10-8-13)11-12-16(23)19-18-20-17(21-22-18)15-5-3-2-4-6-15/h2-12H,1H3,(H2,19,20,21,22,23)/b12-11+
InChIKeyMOMUXVUOAPAQLS-VAWYXSNFSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide 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 (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (CID 57400910) is (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2n[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The InChIKey is MOMUXVUOAPAQLS-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-7-9-14(10-8-13)11-12-16(23)19-18-20-17(21-22-18)15-5-3-2-4-6-15/h2-12H,1H3,(H2,19,20,21,22,23)/b12-11+.
What are the key properties of (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
(E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is sourced from PubChem (CID 57400910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).