6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine

C6H7F2N3O — CID 125421475

IUPAC6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESNc1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C6H7F2N3O/c7-6(8)2-11-5(12-3-6)4(9)1-10-11/h1H,2-3,9H2
InChIKeyOYZGAPUSRFPHPM-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.49
Rot. Bonds

About 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine

6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine (PubChem CID 125421475) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine.

Molecular Properties

Compound Name6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
PubChem CID125421475
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine
SMILESNc1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C6H7F2N3O/c7-6(8)2-11-5(12-3-6)4(9)1-10-11/h1H,2-3,9H2
InChIKeyOYZGAPUSRFPHPM-UHFFFAOYSA-N
XLogP0.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The IUPAC name of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine (CID 125421475) is 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine.
What is the SMILES notation for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The canonical SMILES for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine is Nc1cnn2c1OCC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
The InChIKey is OYZGAPUSRFPHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-6(8)2-11-5(12-3-6)4(9)1-10-11/h1H,2-3,9H2.
What are the key properties of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine?
6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine has a molecular weight of 175.14 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine is sourced from PubChem (CID 125421475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).