1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

C15H11N3O — CID 24847214

IUPAC1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C15H11N3O/c1-2-6-11(7-3-1)15-17-16-14-10-19-13-9-5-4-8-12(13)18(14)15/h1-9H,10H2
InChIKeyHETBLZBUXJOIBP-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.83
Rot. Bonds1

About 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847214) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847214
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C15H11N3O/c1-2-6-11(7-3-1)15-17-16-14-10-19-13-9-5-4-8-12(13)18(14)15/h1-9H,10H2
InChIKeyHETBLZBUXJOIBP-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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847214) is 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is c1ccc(-c2nnc3n2-c2ccccc2OC3)cc1.
What is the InChIKey of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is HETBLZBUXJOIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-2-6-11(7-3-1)15-17-16-14-10-19-13-9-5-4-8-12(13)18(14)15/h1-9H,10H2.
What are the key properties of 1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-phenyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine 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-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).