3-(1-phenyltriazol-4-yl)chromen-2-one

C17H11N3O2 — CID 71449492

IUPAC3-(1-phenyltriazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H11N3O2/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-20(19-18-15)13-7-2-1-3-8-13/h1-11H
InChIKeyNHRJURKCSWHLHZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.04
Rot. Bonds2

About 3-(1-phenyltriazol-4-yl)chromen-2-one

3-(1-phenyltriazol-4-yl)chromen-2-one (PubChem CID 71449492) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(1-phenyltriazol-4-yl)chromen-2-one.

Molecular Properties

Compound Name3-(1-phenyltriazol-4-yl)chromen-2-one
PubChem CID71449492
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name3-(1-phenyltriazol-4-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cn(-c2ccccc2)nn1
InChIInChI=1S/C17H11N3O2/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-20(19-18-15)13-7-2-1-3-8-13/h1-11H
InChIKeyNHRJURKCSWHLHZ-UHFFFAOYSA-N
XLogP3.04
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1-phenyltriazol-4-yl)chromen-2-one 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

2H-1-Benzopyran-2-one, 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-
CID 80122
7-[(1-Phenyltriazol-4-yl)methoxy]chromen-2-one
CID 88314336
3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 876573
3-[3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 1223218
4-[4-[(4-Fluorophenoxy)methyl]triazol-1-yl]chromen-2-one
CID 76314297
7-[[1-(3-Fluorophenyl)triazol-4-yl]methoxy]chromen-2-one
CID 122192671
7-[[1-(4-Fluorophenyl)triazol-4-yl]methoxy]chromen-2-one
CID 122192675
7-[[1-[4-(Trifluoromethyl)phenyl]triazol-4-yl]methoxy]chromen-2-one
CID 122192676
7-[[1-(4-Hydroxyphenyl)triazol-4-yl]methoxy]chromen-2-one
CID 122192677
4-Methyl-7-[4-(phenoxymethyl)triazol-1-yl]chromen-2-one
CID 122192680
7-[4-(Anilinomethyl)triazol-1-yl]-4-methylchromen-2-one
CID 122192682
4-hydroxy-6-methyl-3-[(E)-3-[4-[(1-phenyltriazol-4-yl)methoxy]phenyl]prop-2-enoyl]pyran-2-one
CID 162645236

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyltriazol-4-yl)chromen-2-one?
The IUPAC name of 3-(1-phenyltriazol-4-yl)chromen-2-one (CID 71449492) is 3-(1-phenyltriazol-4-yl)chromen-2-one.
What is the SMILES notation for 3-(1-phenyltriazol-4-yl)chromen-2-one?
The canonical SMILES for 3-(1-phenyltriazol-4-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)nn1.
What is the InChIKey of 3-(1-phenyltriazol-4-yl)chromen-2-one?
The InChIKey is NHRJURKCSWHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-17-14(10-12-6-4-5-9-16(12)22-17)15-11-20(19-18-15)13-7-2-1-3-8-13/h1-11H.
What are the key properties of 3-(1-phenyltriazol-4-yl)chromen-2-one?
3-(1-phenyltriazol-4-yl)chromen-2-one has a molecular weight of 289.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyltriazol-4-yl)chromen-2-one is sourced from PubChem (CID 71449492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).