1-phenyl-4H-chromeno[3,4-d]triazole

C15H11N3O — CID 57387758

IUPAC1-phenyl-4H-chromeno[3,4-d]triazole
SMILESc1ccc(-n2nnc3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C15H11N3O/c1-2-6-11(7-3-1)18-15-12-8-4-5-9-14(12)19-10-13(15)16-17-18/h1-9H,10H2
InChIKeyMCGJHJLLKTYYJJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.83
Rot. Bonds1

About 1-phenyl-4H-chromeno[3,4-d]triazole

1-phenyl-4H-chromeno[3,4-d]triazole (PubChem CID 57387758) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-phenyl-4H-chromeno[3,4-d]triazole.

Molecular Properties

Compound Name1-phenyl-4H-chromeno[3,4-d]triazole
PubChem CID57387758
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-phenyl-4H-chromeno[3,4-d]triazole
SMILESc1ccc(-n2nnc3c2-c2ccccc2OC3)cc1
InChIInChI=1S/C15H11N3O/c1-2-6-11(7-3-1)18-15-12-8-4-5-9-14(12)19-10-13(15)16-17-18/h1-9H,10H2
InChIKeyMCGJHJLLKTYYJJ-UHFFFAOYSA-N
XLogP2.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-4H-chromeno[3,4-d]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4H-chromeno[3,4-d]triazole?
The IUPAC name of 1-phenyl-4H-chromeno[3,4-d]triazole (CID 57387758) is 1-phenyl-4H-chromeno[3,4-d]triazole.
What is the SMILES notation for 1-phenyl-4H-chromeno[3,4-d]triazole?
The canonical SMILES for 1-phenyl-4H-chromeno[3,4-d]triazole is c1ccc(-n2nnc3c2-c2ccccc2OC3)cc1.
What is the InChIKey of 1-phenyl-4H-chromeno[3,4-d]triazole?
The InChIKey is MCGJHJLLKTYYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-2-6-11(7-3-1)18-15-12-8-4-5-9-14(12)19-10-13(15)16-17-18/h1-9H,10H2.
What are the key properties of 1-phenyl-4H-chromeno[3,4-d]triazole?
1-phenyl-4H-chromeno[3,4-d]triazole has a molecular weight of 249.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4H-chromeno[3,4-d]triazole is sourced from PubChem (CID 57387758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).