(E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide

C15H12N4O — CID 6474814

IUPAC(E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide
SMILESNC(=O)/C(=C\c1ccccc1)n1nc2ccccc2n1
InChIInChI=1S/C15H12N4O/c16-15(20)14(10-11-6-2-1-3-7-11)19-17-12-8-4-5-9-13(12)18-19/h1-10H,(H2,16,20)/b14-10+
InChIKeyBAEMXDWPXWBXIU-GXDHUFHOSA-N
MW264.29 g/mol
LogP1.91
Rot. Bonds3

About (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide

(E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide (PubChem CID 6474814) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide
PubChem CID6474814
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide
SMILESNC(=O)/C(=C\c1ccccc1)n1nc2ccccc2n1
InChIInChI=1S/C15H12N4O/c16-15(20)14(10-11-6-2-1-3-7-11)19-17-12-8-4-5-9-13(12)18-19/h1-10H,(H2,16,20)/b14-10+
InChIKeyBAEMXDWPXWBXIU-GXDHUFHOSA-N
XLogP1.91
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide
CID 44549505
1-(3-Phenyl-2-propenoyl)-1H-benzotriazole
CID 5338248
N-Benzyl-1-aminobenzotriazole
CID 4309
2-(2H-1,2,3-benzotriazol-2-yl)-N'-[1-(4-fluorophenyl)ethylidene]acetohydrazide
CID 5454053
1-Azolyl-4-phenyl-2-butanone, 14
CID 44604203
4-(2H-1,2,3-benzotriazol-2-yl)-3-methylphenylamine
CID 4437595
2-(2H-1,2,3-benzotriazol-2-yl)-N'-(4-fluorobenzylidene)acetohydrazide
CID 6872983
2-(4-Carbamimidoylphenyl)benzotriazole-5-carboximidamide
CID 148238
2-(Benzotriazol-2-yl)-3-phenylacrylonitrile
CID 6474526
(E)-2-(benzotriazol-2-yl)-3-(4-fluorophenyl)prop-2-enenitrile
CID 6475067
(E)-2-(benzotriazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 6475338
2-Benzylbenzotriazole
CID 3810549

Frequently Asked Questions

What is the IUPAC name of (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide (CID 6474814) is (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide is NC(=O)/C(=C\c1ccccc1)n1nc2ccccc2n1.
What is the InChIKey of (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is BAEMXDWPXWBXIU-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H12N4O/c16-15(20)14(10-11-6-2-1-3-7-11)19-17-12-8-4-5-9-13(12)18-19/h1-10H,(H2,16,20)/b14-10+.
What are the key properties of (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide?
(E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 264.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(benzotriazol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6474814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).