1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine

C7H11N3O — CID 71755951

IUPAC1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine
SMILESCc1nn(C)c2c1NCCO2
InChIInChI=1S/C7H11N3O/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3
InChIKeyRMRVJLDOZUHEHZ-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.53
Rot. Bonds

About 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine

1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine (PubChem CID 71755951) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine.

Molecular Properties

Compound Name1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine
PubChem CID71755951
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine
SMILESCc1nn(C)c2c1NCCO2
InChIInChI=1S/C7H11N3O/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3
InChIKeyRMRVJLDOZUHEHZ-UHFFFAOYSA-N
XLogP0.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine?
The IUPAC name of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine (CID 71755951) is 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine.
What is the SMILES notation for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine?
The canonical SMILES for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine is Cc1nn(C)c2c1NCCO2.
What is the InChIKey of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine?
The InChIKey is RMRVJLDOZUHEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine?
1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine has a molecular weight of 153.19 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine is sourced from PubChem (CID 71755951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).