6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C6H8N2O — CID 69188689

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESc1cc2n(n1)CCCO2
InChIInChI=1S/C6H8N2O/c1-4-8-6(9-5-1)2-3-7-8/h2-3H,1,4-5H2
InChIKeyIASRYLKZYZPWRV-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.67
Rot. Bonds

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 69188689) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID69188689
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESc1cc2n(n1)CCCO2
InChIInChI=1S/C6H8N2O/c1-4-8-6(9-5-1)2-3-7-8/h2-3H,1,4-5H2
InChIKeyIASRYLKZYZPWRV-UHFFFAOYSA-N
XLogP0.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 69188689) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is c1cc2n(n1)CCCO2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is IASRYLKZYZPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-8-6(9-5-1)2-3-7-8/h2-3H,1,4-5H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 124.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 69188689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).