3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one

C15H9N3O2 — CID 132607293

IUPAC3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one
SMILESO=c1oc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C15H9N3O2/c19-15-11-8-4-5-9-12(11)18-14(20-15)13(16-17-18)10-6-2-1-3-7-10/h1-9H
InChIKeyGLQCEIVTFDENAM-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.50
Rot. Bonds1

About 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one

3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one (PubChem CID 132607293) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one.

Molecular Properties

Compound Name3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one
PubChem CID132607293
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one
SMILESO=c1oc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C15H9N3O2/c19-15-11-8-4-5-9-12(11)18-14(20-15)13(16-17-18)10-6-2-1-3-7-10/h1-9H
InChIKeyGLQCEIVTFDENAM-UHFFFAOYSA-N
XLogP2.50
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one
CID 132607306
3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 5304078
1,2,3-trimethylpyrrolo[1,2-a][3,1]benzoxazin-5-one
CID 90154793
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
6-methyl-1,4-diphenylpyridazino[4,5-b]carbazole
CID 12584877
3-phenyl-N-(pyridin-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 53332806
N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 15945462
N-benzyl-3-(4-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 20874438
4-[3-(4-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874455
11-(4,6-diphenyl-1,3,5-triazin-2-yl)isochromeno[3,4-a]carbazol-13-one
CID 118248412
tetrazolo[5,1-c][1,4]benzoxazin-4-one
CID 11095347
2-(4-methylphenyl)-5-phenyl-1,3,4-oxadiazin-6-one
CID 11021744

Frequently Asked Questions

What is the IUPAC name of 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
The IUPAC name of 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one (CID 132607293) is 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one.
What is the SMILES notation for 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
The canonical SMILES for 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one is O=c1oc2c(-c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
The InChIKey is GLQCEIVTFDENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c19-15-11-8-4-5-9-12(11)18-14(20-15)13(16-17-18)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one has a molecular weight of 263.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one is sourced from PubChem (CID 132607293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).