1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine

C8H13N3O — CID 137146072

IUPAC1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
SMILESCC(C)n1ncc2c1NCCO2
InChIInChI=1S/C8H13N3O/c1-6(2)11-8-7(5-10-11)12-4-3-9-8/h5-6,9H,3-4H2,1-2H3
InChIKeyWBKHRXBHBKPSQJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.27
Rot. Bonds1

About 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine

1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine (PubChem CID 137146072) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine.

Molecular Properties

Compound Name1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
PubChem CID137146072
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
SMILESCC(C)n1ncc2c1NCCO2
InChIInChI=1S/C8H13N3O/c1-6(2)11-8-7(5-10-11)12-4-3-9-8/h5-6,9H,3-4H2,1-2H3
InChIKeyWBKHRXBHBKPSQJ-UHFFFAOYSA-N
XLogP1.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
The IUPAC name of 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine (CID 137146072) is 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine.
What is the SMILES notation for 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
The canonical SMILES for 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine is CC(C)n1ncc2c1NCCO2.
What is the InChIKey of 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
The InChIKey is WBKHRXBHBKPSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)11-8-7(5-10-11)12-4-3-9-8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine?
1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine has a molecular weight of 167.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine is sourced from PubChem (CID 137146072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).