5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine

C6H9N3O — CID 131575266

IUPAC5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine
SMILESCC1COc2[nH]ncc2N1
InChIInChI=1S/C6H9N3O/c1-4-3-10-6-5(8-4)2-7-9-6/h2,4,8H,3H2,1H3,(H,7,9)
InChIKeyWOKWVIYHPWFWQH-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.60
Rot. Bonds

About 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine

5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine (PubChem CID 131575266) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine
PubChem CID131575266
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine
SMILESCC1COc2[nH]ncc2N1
InChIInChI=1S/C6H9N3O/c1-4-3-10-6-5(8-4)2-7-9-6/h2,4,8H,3H2,1H3,(H,7,9)
InChIKeyWOKWVIYHPWFWQH-UHFFFAOYSA-N
XLogP0.60
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-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 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
The IUPAC name of 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine (CID 131575266) is 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine.
What is the SMILES notation for 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
The canonical SMILES for 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine is CC1COc2[nH]ncc2N1.
What is the InChIKey of 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
The InChIKey is WOKWVIYHPWFWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-10-6-5(8-4)2-7-9-6/h2,4,8H,3H2,1H3,(H,7,9).
What are the key properties of 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine?
5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine has a molecular weight of 139.16 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4,5,6-tetrahydropyrazolo[5,4-b][1,4]oxazine is sourced from PubChem (CID 131575266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).