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

C6H9N3O — CID 84819161

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESNc1cnn2c1OCCC2
InChIInChI=1S/C6H9N3O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3,7H2
InChIKeyVFIHAWGAYBQVAE-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.25
Rot. Bonds

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine (PubChem CID 84819161) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
PubChem CID84819161
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESNc1cnn2c1OCCC2
InChIInChI=1S/C6H9N3O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3,7H2
InChIKeyVFIHAWGAYBQVAE-UHFFFAOYSA-N
XLogP0.25
TPSA53.07 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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine (CID 84819161) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine is Nc1cnn2c1OCCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The InChIKey is VFIHAWGAYBQVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-5-4-8-9-2-1-3-10-6(5)9/h4H,1-3,7H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine has a molecular weight of 139.16 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine is sourced from PubChem (CID 84819161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).