amino-oxo-(1H-pyrazol-5-yl)azanium

C3H5N4O+ — CID 54008844

IUPACamino-oxo-(1H-pyrazol-5-yl)azanium
SMILESN[N+](=O)c1ccn[nH]1
InChIInChI=1S/C3H5N4O/c4-7(8)3-1-2-5-6-3/h1-2H,(H2,4,8)(H,5,6)/q+1
InChIKeyKQVVODNZHIXTIT-UHFFFAOYSA-N
MW113.10 g/mol
LogP-0.31
Rot. Bonds1

About amino-oxo-(1H-pyrazol-5-yl)azanium

amino-oxo-(1H-pyrazol-5-yl)azanium (PubChem CID 54008844) has the molecular formula C3H5N4O+ and a molecular weight of 113.10 g/mol. Its IUPAC name is amino-oxo-(1H-pyrazol-5-yl)azanium.

Molecular Properties

Compound Nameamino-oxo-(1H-pyrazol-5-yl)azanium
PubChem CID54008844
Molecular FormulaC3H5N4O+
Molecular Weight113.10 g/mol
Exact Mass113.05
IUPAC Nameamino-oxo-(1H-pyrazol-5-yl)azanium
SMILESN[N+](=O)c1ccn[nH]1
InChIInChI=1S/C3H5N4O/c4-7(8)3-1-2-5-6-3/h1-2H,(H2,4,8)(H,5,6)/q+1
InChIKeyKQVVODNZHIXTIT-UHFFFAOYSA-N
XLogP-0.31
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.10
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-oxo-(1H-pyrazol-5-yl)azanium?
The IUPAC name of amino-oxo-(1H-pyrazol-5-yl)azanium (CID 54008844) is amino-oxo-(1H-pyrazol-5-yl)azanium.
What is the SMILES notation for amino-oxo-(1H-pyrazol-5-yl)azanium?
The canonical SMILES for amino-oxo-(1H-pyrazol-5-yl)azanium is N[N+](=O)c1ccn[nH]1.
What is the InChIKey of amino-oxo-(1H-pyrazol-5-yl)azanium?
The InChIKey is KQVVODNZHIXTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N4O/c4-7(8)3-1-2-5-6-3/h1-2H,(H2,4,8)(H,5,6)/q+1.
What are the key properties of amino-oxo-(1H-pyrazol-5-yl)azanium?
amino-oxo-(1H-pyrazol-5-yl)azanium has a molecular weight of 113.10 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-oxo-(1H-pyrazol-5-yl)azanium is sourced from PubChem (CID 54008844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).