3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride

C6H10ClN3O2 — CID 154865244

IUPAC3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride
SMILESCl.Nc1cnn2c1OCC(O)C2
InChIInChI=1S/C6H9N3O2.ClH/c7-5-1-8-9-2-4(10)3-11-6(5)9;/h1,4,10H,2-3,7H2;1H
InChIKeyJCYKAFRWOYCXLO-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.36
Rot. Bonds

About 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride

3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride (PubChem CID 154865244) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride
PubChem CID154865244
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride
SMILESCl.Nc1cnn2c1OCC(O)C2
InChIInChI=1S/C6H9N3O2.ClH/c7-5-1-8-9-2-4(10)3-11-6(5)9;/h1,4,10H,2-3,7H2;1H
InChIKeyJCYKAFRWOYCXLO-UHFFFAOYSA-N
XLogP-0.36
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride?
The IUPAC name of 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride (CID 154865244) is 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride.
What is the SMILES notation for 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride?
The canonical SMILES for 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride is Cl.Nc1cnn2c1OCC(O)C2.
What is the InChIKey of 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride?
The InChIKey is JCYKAFRWOYCXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c7-5-1-8-9-2-4(10)3-11-6(5)9;/h1,4,10H,2-3,7H2;1H.
What are the key properties of 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride?
3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-ol;hydrochloride is sourced from PubChem (CID 154865244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).