2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide

C11H10N4O — CID 175718548

IUPAC2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide
SMILESNC(=O)C(=Cn1cncn1)c1ccccc1
InChIInChI=1S/C11H10N4O/c12-11(16)10(6-15-8-13-7-14-15)9-4-2-1-3-5-9/h1-8H,(H2,12,16)
InChIKeyNVHTUAGAGLTGIS-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.76
Rot. Bonds3

About 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide

2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide (PubChem CID 175718548) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide
PubChem CID175718548
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide
SMILESNC(=O)C(=Cn1cncn1)c1ccccc1
InChIInChI=1S/C11H10N4O/c12-11(16)10(6-15-8-13-7-14-15)9-4-2-1-3-5-9/h1-8H,(H2,12,16)
InChIKeyNVHTUAGAGLTGIS-UHFFFAOYSA-N
XLogP0.76
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.76
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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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide?
The IUPAC name of 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide (CID 175718548) is 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide.
What is the SMILES notation for 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide?
The canonical SMILES for 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide is NC(=O)C(=Cn1cncn1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide?
The InChIKey is NVHTUAGAGLTGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-11(16)10(6-15-8-13-7-14-15)9-4-2-1-3-5-9/h1-8H,(H2,12,16).
What are the key properties of 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide?
2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide has a molecular weight of 214.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1,2,4-triazol-1-yl)prop-2-enamide is sourced from PubChem (CID 175718548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).