hydrazine;pyrazol-3-one

C3H6N4O — CID 158240948

IUPAChydrazine;pyrazol-3-one
SMILESNN.O=C1C=CN=N1
InChIInChI=1S/C3H2N2O.H4N2/c6-3-1-2-4-5-3;1-2/h1-2H;1-2H2
InChIKeyGFNNFMPVHAJQOP-UHFFFAOYSA-N
MW114.11 g/mol
LogP-0.69
Rot. Bonds

About hydrazine;pyrazol-3-one

hydrazine;pyrazol-3-one (PubChem CID 158240948) has the molecular formula C3H6N4O and a molecular weight of 114.11 g/mol. Its IUPAC name is hydrazine;pyrazol-3-one.

Molecular Properties

Compound Namehydrazine;pyrazol-3-one
PubChem CID158240948
Molecular FormulaC3H6N4O
Molecular Weight114.11 g/mol
Exact Mass114.05
IUPAC Namehydrazine;pyrazol-3-one
SMILESNN.O=C1C=CN=N1
InChIInChI=1S/C3H2N2O.H4N2/c6-3-1-2-4-5-3;1-2/h1-2H;1-2H2
InChIKeyGFNNFMPVHAJQOP-UHFFFAOYSA-N
XLogP-0.69
TPSA93.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydrazine;pyrazol-3-one?
The IUPAC name of hydrazine;pyrazol-3-one (CID 158240948) is hydrazine;pyrazol-3-one.
What is the SMILES notation for hydrazine;pyrazol-3-one?
The canonical SMILES for hydrazine;pyrazol-3-one is NN.O=C1C=CN=N1.
What is the InChIKey of hydrazine;pyrazol-3-one?
The InChIKey is GFNNFMPVHAJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O.H4N2/c6-3-1-2-4-5-3;1-2/h1-2H;1-2H2.
What are the key properties of hydrazine;pyrazol-3-one?
hydrazine;pyrazol-3-one has a molecular weight of 114.11 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;pyrazol-3-one is sourced from PubChem (CID 158240948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).