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

C6H8ClF2N3O — CID 132987970

IUPAC6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride
SMILESCl.Nc1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C6H7F2N3O.ClH/c7-6(8)2-11-5(12-3-6)4(9)1-10-11;/h1H,2-3,9H2;1H
InChIKeyJTAKTKHJBUXNAS-UHFFFAOYSA-N
MW211.60 g/mol
LogP0.91
Rot. Bonds

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

6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride (PubChem CID 132987970) has the molecular formula C6H8ClF2N3O and a molecular weight of 211.60 g/mol. Its IUPAC name is 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride
PubChem CID132987970
Molecular FormulaC6H8ClF2N3O
Molecular Weight211.60 g/mol
Exact Mass211.03
IUPAC Name6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride
SMILESCl.Nc1cnn2c1OCC(F)(F)C2
InChIInChI=1S/C6H7F2N3O.ClH/c7-6(8)2-11-5(12-3-6)4(9)1-10-11;/h1H,2-3,9H2;1H
InChIKeyJTAKTKHJBUXNAS-UHFFFAOYSA-N
XLogP0.91
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 50.91
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;hydrochloride?
The IUPAC name of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride (CID 132987970) is 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride.
What is the SMILES notation for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride?
The canonical SMILES for 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride is Cl.Nc1cnn2c1OCC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride?
The InChIKey is JTAKTKHJBUXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O.ClH/c7-6(8)2-11-5(12-3-6)4(9)1-10-11;/h1H,2-3,9H2;1H.
What are the key properties of 6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride?
6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-amine;hydrochloride has a molecular weight of 211.60 g/mol, XLogP of 0.91, 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;hydrochloride is sourced from PubChem (CID 132987970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).