(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine

C6H8FN3O — CID 129451958

IUPAC(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESNc1cnn2c1OC[C@@H](F)C2
InChIInChI=1S/C6H8FN3O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3,8H2/t4-/m0/s1
InChIKeyRCSHYMXSOMIMHC-BYPYZUCNSA-N
MW157.15 g/mol
LogP0.20
Rot. Bonds

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

(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine (PubChem CID 129451958) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine.

Molecular Properties

Compound Name(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
PubChem CID129451958
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESNc1cnn2c1OC[C@@H](F)C2
InChIInChI=1S/C6H8FN3O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3,8H2/t4-/m0/s1
InChIKeyRCSHYMXSOMIMHC-BYPYZUCNSA-N
XLogP0.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The IUPAC name of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine (CID 129451958) is (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine.
What is the SMILES notation for (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The canonical SMILES for (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine is Nc1cnn2c1OC[C@@H](F)C2.
What is the InChIKey of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The InChIKey is RCSHYMXSOMIMHC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8FN3O/c7-4-2-10-6(11-3-4)5(8)1-9-10/h1,4H,2-3,8H2/t4-/m0/s1.
What are the key properties of (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
(6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine has a molecular weight of 157.15 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine is sourced from PubChem (CID 129451958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).