6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride

C7H12ClN3O — CID 155970187

IUPAC6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2n(n1)CCOC2
InChIInChI=1S/C7H11N3O.ClH/c8-4-6-3-7-5-11-2-1-10(7)9-6;/h3H,1-2,4-5,8H2;1H
InChIKeyMOFMGRDIDLIVLL-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.29
Rot. Bonds1

About 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride (PubChem CID 155970187) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride
PubChem CID155970187
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2n(n1)CCOC2
InChIInChI=1S/C7H11N3O.ClH/c8-4-6-3-7-5-11-2-1-10(7)9-6;/h3H,1-2,4-5,8H2;1H
InChIKeyMOFMGRDIDLIVLL-UHFFFAOYSA-N
XLogP0.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride (CID 155970187) is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride is Cl.NCc1cc2n(n1)CCOC2.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride?
The InChIKey is MOFMGRDIDLIVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c8-4-6-3-7-5-11-2-1-10(7)9-6;/h3H,1-2,4-5,8H2;1H.
What are the key properties of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride?
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 155970187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).