6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium

C7H10N3O3+ — CID 145428396

IUPAC6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnn2c1COCC2
InChIInChI=1S/C7H10N3O3/c1-12-10(11)6-4-8-9-2-3-13-5-7(6)9/h4H,2-3,5H2,1H3/q+1
InChIKeyILTVWBYZBJPSDZ-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.39
Rot. Bonds2

About 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium (PubChem CID 145428396) has the molecular formula C7H10N3O3+ and a molecular weight of 184.17 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium.

Molecular Properties

Compound Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium
PubChem CID145428396
Molecular FormulaC7H10N3O3+
Molecular Weight184.17 g/mol
Exact Mass184.07
IUPAC Name6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium
SMILESCO[N+](=O)c1cnn2c1COCC2
InChIInChI=1S/C7H10N3O3/c1-12-10(11)6-4-8-9-2-3-13-5-7(6)9/h4H,2-3,5H2,1H3/q+1
InChIKeyILTVWBYZBJPSDZ-UHFFFAOYSA-N
XLogP0.39
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium?
The IUPAC name of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium (CID 145428396) is 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium.
What is the SMILES notation for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium?
The canonical SMILES for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium is CO[N+](=O)c1cnn2c1COCC2.
What is the InChIKey of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium?
The InChIKey is ILTVWBYZBJPSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N3O3/c1-12-10(11)6-4-8-9-2-3-13-5-7(6)9/h4H,2-3,5H2,1H3/q+1.
What are the key properties of 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium?
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium has a molecular weight of 184.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl-methoxy-oxoazanium is sourced from PubChem (CID 145428396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).