1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine

C6H9N3O — CID 137226289

IUPAC1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
SMILESCn1ncc2c1NCCO2
InChIInChI=1S/C6H9N3O/c1-9-6-5(4-8-9)10-3-2-7-6/h4,7H,2-3H2,1H3
InChIKeyBRKUERICDJXDDB-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.22
Rot. Bonds

About 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine

1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine (PubChem CID 137226289) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine.

Molecular Properties

Compound Name1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
PubChem CID137226289
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
SMILESCn1ncc2c1NCCO2
InChIInChI=1S/C6H9N3O/c1-9-6-5(4-8-9)10-3-2-7-6/h4,7H,2-3H2,1H3
InChIKeyBRKUERICDJXDDB-UHFFFAOYSA-N
XLogP0.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
The IUPAC name of 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine (CID 137226289) is 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine.
What is the SMILES notation for 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
The canonical SMILES for 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine is Cn1ncc2c1NCCO2.
What is the InChIKey of 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
The InChIKey is BRKUERICDJXDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-6-5(4-8-9)10-3-2-7-6/h4,7H,2-3H2,1H3.
What are the key properties of 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine has a molecular weight of 139.16 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine is sourced from PubChem (CID 137226289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).