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

C17H14N4O — CID 57393950

IUPAC(E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O/c22-15(12-11-13-7-3-1-4-8-13)18-17-19-16(20-21-17)14-9-5-2-6-10-14/h1-12H,(H2,18,19,20,21,22)/b12-11+
InChIKeyRNQXNPUGJDIXHR-VAWYXSNFSA-N
MW290.33 g/mol
LogP3.12
Rot. Bonds4

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

(E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (PubChem CID 57393950) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
PubChem CID57393950
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H14N4O/c22-15(12-11-13-7-3-1-4-8-13)18-17-19-16(20-21-17)14-9-5-2-6-10-14/h1-12H,(H2,18,19,20,21,22)/b12-11+
InChIKeyRNQXNPUGJDIXHR-VAWYXSNFSA-N
XLogP3.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide (CID 57393950) is (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
The InChIKey is RNQXNPUGJDIXHR-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H14N4O/c22-15(12-11-13-7-3-1-4-8-13)18-17-19-16(20-21-17)14-9-5-2-6-10-14/h1-12H,(H2,18,19,20,21,22)/b12-11+.
What are the key properties of (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide?
(E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide has a molecular weight of 290.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)prop-2-enamide is sourced from PubChem (CID 57393950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).