3-(benzotriazol-1-yl)oxazin-4-one

C10H6N4O2 — CID 175052746

IUPAC3-(benzotriazol-1-yl)oxazin-4-one
SMILESO=c1cconc1-n1nnc2ccccc21
InChIInChI=1S/C10H6N4O2/c15-9-5-6-16-12-10(9)14-8-4-2-1-3-7(8)11-13-14/h1-6H
InChIKeyKBIOOWDMWQHRDF-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.77
Rot. Bonds1

About 3-(benzotriazol-1-yl)oxazin-4-one

3-(benzotriazol-1-yl)oxazin-4-one (PubChem CID 175052746) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)oxazin-4-one.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)oxazin-4-one
PubChem CID175052746
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name3-(benzotriazol-1-yl)oxazin-4-one
SMILESO=c1cconc1-n1nnc2ccccc21
InChIInChI=1S/C10H6N4O2/c15-9-5-6-16-12-10(9)14-8-4-2-1-3-7(8)11-13-14/h1-6H
InChIKeyKBIOOWDMWQHRDF-UHFFFAOYSA-N
XLogP0.77
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(benzotriazol-1-yl)oxazin-4-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

1-(1H-indazol-3-yl)benzotriazole
CID 45104174
2-(benzotriazol-1-yl)pyridin-3-amine
CID 42281444
4-(benzotriazol-1-yl)-2-phenylquinazoline
CID 2455828
1-(3,5,6-trifluoro-2-pyridinyl)benzotriazole
CID 114072752
3-(benzotriazol-1-yl)benzoic acid
CID 63942082
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011
3-(benzotriazol-1-yl)cyclohex-2-en-1-one
CID 3826651
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
3-(benzotriazol-1-yl)-1-methylpyrazol-4-amine
CID 103079000
1-(5-bromo-3-nitro-2-pyridinyl)benzotriazole
CID 61374153
[2-(benzotriazol-1-yl)pyrimidin-4-yl]methanamine
CID 107542354
4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-one
CID 59718950

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)oxazin-4-one?
The IUPAC name of 3-(benzotriazol-1-yl)oxazin-4-one (CID 175052746) is 3-(benzotriazol-1-yl)oxazin-4-one.
What is the SMILES notation for 3-(benzotriazol-1-yl)oxazin-4-one?
The canonical SMILES for 3-(benzotriazol-1-yl)oxazin-4-one is O=c1cconc1-n1nnc2ccccc21.
What is the InChIKey of 3-(benzotriazol-1-yl)oxazin-4-one?
The InChIKey is KBIOOWDMWQHRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c15-9-5-6-16-12-10(9)14-8-4-2-1-3-7(8)11-13-14/h1-6H.
What are the key properties of 3-(benzotriazol-1-yl)oxazin-4-one?
3-(benzotriazol-1-yl)oxazin-4-one has a molecular weight of 214.18 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)oxazin-4-one is sourced from PubChem (CID 175052746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).