(6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine

C7H9F2N3O — CID 125421479

IUPAC(6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine
SMILESNCc1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C7H9F2N3O/c8-7(9)3-12-6(13-4-7)5(1-10)2-11-12/h2H,1,3-4,10H2
InChIKeyPXLNMHZJAAPSGH-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.37
Rot. Bonds1

About (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine

(6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine (PubChem CID 125421479) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine.

Molecular Properties

Compound Name(6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine
PubChem CID125421479
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name(6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine
SMILESNCc1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C7H9F2N3O/c8-7(9)3-12-6(13-4-7)5(1-10)2-11-12/h2H,1,3-4,10H2
InChIKeyPXLNMHZJAAPSGH-UHFFFAOYSA-N
XLogP0.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.37
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-yl)methanamine?
The IUPAC name of (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine (CID 125421479) is (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine.
What is the SMILES notation for (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine?
The canonical SMILES for (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine is NCc1cnn2c1OCC(F)(F)C2.
What is the InChIKey of (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine?
The InChIKey is PXLNMHZJAAPSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)3-12-6(13-4-7)5(1-10)2-11-12/h2H,1,3-4,10H2.
What are the key properties of (6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine?
(6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)methanamine has a molecular weight of 189.16 g/mol, XLogP of 0.37, 1 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-yl)methanamine is sourced from PubChem (CID 125421479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).