7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine

C6H9N3O — CID 76614911

IUPAC7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
SMILESCC1CCn2cnnc2O1
InChIInChI=1S/C6H9N3O/c1-5-2-3-9-4-7-8-6(9)10-5/h4-5H,2-3H2,1H3
InChIKeyROXUZRCFZCSPGB-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.45
Rot. Bonds

About 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine

7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine (PubChem CID 76614911) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine.

Molecular Properties

Compound Name7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
PubChem CID76614911
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
SMILESCC1CCn2cnnc2O1
InChIInChI=1S/C6H9N3O/c1-5-2-3-9-4-7-8-6(9)10-5/h4-5H,2-3H2,1H3
InChIKeyROXUZRCFZCSPGB-UHFFFAOYSA-N
XLogP0.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]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 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
The IUPAC name of 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine (CID 76614911) is 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine.
What is the SMILES notation for 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
The canonical SMILES for 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine is CC1CCn2cnnc2O1.
What is the InChIKey of 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
The InChIKey is ROXUZRCFZCSPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5-2-3-9-4-7-8-6(9)10-5/h4-5H,2-3H2,1H3.
What are the key properties of 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine?
7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine has a molecular weight of 139.16 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine is sourced from PubChem (CID 76614911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).