(6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine

C7H10FN3O — CID 129451308

IUPAC(6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESCc1nn2c(c1N)OC[C@@H](F)C2
InChIInChI=1S/C7H10FN3O/c1-4-6(9)7-11(10-4)2-5(8)3-12-7/h5H,2-3,9H2,1H3/t5-/m0/s1
InChIKeyJLPJDRBKLSDXIF-YFKPBYRVSA-N
MW171.17 g/mol
LogP0.50
Rot. Bonds

About (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine

(6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine (PubChem CID 129451308) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine.

Molecular Properties

Compound Name(6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
PubChem CID129451308
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name(6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESCc1nn2c(c1N)OC[C@@H](F)C2
InChIInChI=1S/C7H10FN3O/c1-4-6(9)7-11(10-4)2-5(8)3-12-7/h5H,2-3,9H2,1H3/t5-/m0/s1
InChIKeyJLPJDRBKLSDXIF-YFKPBYRVSA-N
XLogP0.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The IUPAC name of (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine (CID 129451308) is (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine.
What is the SMILES notation for (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The canonical SMILES for (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine is Cc1nn2c(c1N)OC[C@@H](F)C2.
What is the InChIKey of (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
The InChIKey is JLPJDRBKLSDXIF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4-6(9)7-11(10-4)2-5(8)3-12-7/h5H,2-3,9H2,1H3/t5-/m0/s1.
What are the key properties of (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine?
(6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine has a molecular weight of 171.17 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-fluoro-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-amine is sourced from PubChem (CID 129451308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).