3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

C7H12N2O — CID 172726440

IUPAC3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESC1=C2OCCNC2CNC1
InChIInChI=1S/C7H12N2O/c1-2-8-5-6-7(1)10-4-3-9-6/h1,6,8-9H,2-5H2
InChIKeyHFDMCZRNWNYCIT-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.54
Rot. Bonds

About 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 172726440) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID172726440
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESC1=C2OCCNC2CNC1
InChIInChI=1S/C7H12N2O/c1-2-8-5-6-7(1)10-4-3-9-6/h1,6,8-9H,2-5H2
InChIKeyHFDMCZRNWNYCIT-UHFFFAOYSA-N
XLogP-0.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]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 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (CID 172726440) is 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is C1=C2OCCNC2CNC1.
What is the InChIKey of 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is HFDMCZRNWNYCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-8-5-6-7(1)10-4-3-9-6/h1,6,8-9H,2-5H2.
What are the key properties of 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 140.19 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5,6,7-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 172726440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).