1H-diazepine;2H-oxazine

C9H11N3O — CID 161442194

IUPAC1H-diazepine;2H-oxazine
SMILESC1=CC=NNC=C1.C1=CNOC=C1
InChIInChI=1S/C5H6N2.C4H5NO/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-6H;1-5H
InChIKeyVZKQKVMAXGTZAM-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.19
Rot. Bonds

About 1H-diazepine;2H-oxazine

1H-diazepine;2H-oxazine (PubChem CID 161442194) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1H-diazepine;2H-oxazine.

Molecular Properties

Compound Name1H-diazepine;2H-oxazine
PubChem CID161442194
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1H-diazepine;2H-oxazine
SMILESC1=CC=NNC=C1.C1=CNOC=C1
InChIInChI=1S/C5H6N2.C4H5NO/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-6H;1-5H
InChIKeyVZKQKVMAXGTZAM-UHFFFAOYSA-N
XLogP1.19
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1H-diazepine;2H-oxazine 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 1H-diazepine;2H-oxazine?
The IUPAC name of 1H-diazepine;2H-oxazine (CID 161442194) is 1H-diazepine;2H-oxazine.
What is the SMILES notation for 1H-diazepine;2H-oxazine?
The canonical SMILES for 1H-diazepine;2H-oxazine is C1=CC=NNC=C1.C1=CNOC=C1.
What is the InChIKey of 1H-diazepine;2H-oxazine?
The InChIKey is VZKQKVMAXGTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C4H5NO/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1/h1-6H;1-5H.
What are the key properties of 1H-diazepine;2H-oxazine?
1H-diazepine;2H-oxazine has a molecular weight of 177.21 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-diazepine;2H-oxazine is sourced from PubChem (CID 161442194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).