(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide

C19H18N4O — CID 9071736

IUPAC(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C19H18N4O/c1-15-7-9-17(10-8-15)20-19(24)12-11-18-14-23(22-21-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,20,24)/b12-11+
InChIKeyKEXBJJBWZOQEFV-VAWYXSNFSA-N
MW318.38 g/mol
LogP3.29
Rot. Bonds5

About (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide

(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 9071736) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide
PubChem CID9071736
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C19H18N4O/c1-15-7-9-17(10-8-15)20-19(24)12-11-18-14-23(22-21-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,20,24)/b12-11+
InChIKeyKEXBJJBWZOQEFV-VAWYXSNFSA-N
XLogP3.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)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

Related Compounds

(E)-3-(1-benzyltriazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217320
(E)-3-(1-benzyltriazol-4-yl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 26688818
(E)-3-(1-benzyltriazol-4-yl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 9072731
(E)-3-(1-benzyltriazol-4-yl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 9070523
(E)-3-(1-benzyltriazol-4-yl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 26687426
(E)-3-(1-benzyltriazol-4-yl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26692197
(E)-3-(1-benzyltriazol-4-yl)-N-(3-chloro-2-methylphenyl)prop-2-enamide
CID 26688838
(E)-3-(1-benzyltriazol-4-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072642
(E)-3-(1-benzyltriazol-4-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 26689597
(2E,4E)-5-(1-benzyltriazol-4-yl)-2-cyano-N-(4-methylphenyl)penta-2,4-dienamide
CID 9353205
(E)-3-(1-benzyltriazol-4-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 43013706
(E)-3-(1-benzyltriazol-4-yl)-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]prop-2-enamide
CID 24525550

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide (CID 9071736) is (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is KEXBJJBWZOQEFV-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H18N4O/c1-15-7-9-17(10-8-15)20-19(24)12-11-18-14-23(22-21-18)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,20,24)/b12-11+.
What are the key properties of (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide?
(E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 318.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzyltriazol-4-yl)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9071736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).