6-methylpyrazolo[3,4-e]oxazine

C6H5N3O — CID 162788939

IUPAC6-methylpyrazolo[3,4-e]oxazine
SMILESCc1cc2nncc-2on1
InChIInChI=1S/C6H5N3O/c1-4-2-5-6(10-9-4)3-7-8-5/h2-3H,1H3
InChIKeyCEVAOPNFJHNLGP-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.88
Rot. Bonds

About 6-methylpyrazolo[3,4-e]oxazine

6-methylpyrazolo[3,4-e]oxazine (PubChem CID 162788939) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 6-methylpyrazolo[3,4-e]oxazine.

Molecular Properties

Compound Name6-methylpyrazolo[3,4-e]oxazine
PubChem CID162788939
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name6-methylpyrazolo[3,4-e]oxazine
SMILESCc1cc2nncc-2on1
InChIInChI=1S/C6H5N3O/c1-4-2-5-6(10-9-4)3-7-8-5/h2-3H,1H3
InChIKeyCEVAOPNFJHNLGP-UHFFFAOYSA-N
XLogP0.88
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methylpyrazolo[3,4-e]oxazine 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

5-(5,6-difluoro-3-pyridinyl)-3-methyl-1,2-oxazole
CID 58015534
5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole
CID 169499011
3-methyl-5-(5-propan-2-yl-2-pyridinyl)-1,2-oxazole
CID 176864957
3,5-dimethyl-1,2-oxazole;methane
CID 162114046
2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
CID 114770814
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
3-methyl-5-(2-methylsulfanylpyrimidin-5-yl)-1,2-oxazole
CID 162383929
5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868950
5-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868891
3-methyl-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-1,2-oxazole
CID 170992294
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole
CID 45099227

Frequently Asked Questions

What is the IUPAC name of 6-methylpyrazolo[3,4-e]oxazine?
The IUPAC name of 6-methylpyrazolo[3,4-e]oxazine (CID 162788939) is 6-methylpyrazolo[3,4-e]oxazine.
What is the SMILES notation for 6-methylpyrazolo[3,4-e]oxazine?
The canonical SMILES for 6-methylpyrazolo[3,4-e]oxazine is Cc1cc2nncc-2on1.
What is the InChIKey of 6-methylpyrazolo[3,4-e]oxazine?
The InChIKey is CEVAOPNFJHNLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-4-2-5-6(10-9-4)3-7-8-5/h2-3H,1H3.
What are the key properties of 6-methylpyrazolo[3,4-e]oxazine?
6-methylpyrazolo[3,4-e]oxazine has a molecular weight of 135.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrazolo[3,4-e]oxazine is sourced from PubChem (CID 162788939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).