azane;pyrazol-3-one

C3H8N4O — CID 68665752

IUPACazane;pyrazol-3-one
SMILESN.N.O=C1C=CN=N1
InChIInChI=1S/C3H2N2O.2H3N/c6-3-1-2-4-5-3;;/h1-2H;2*1H3
InChIKeyBTKNXDMRTRANHB-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.82
Rot. Bonds

About azane;pyrazol-3-one

azane;pyrazol-3-one (PubChem CID 68665752) has the molecular formula C3H8N4O and a molecular weight of 116.12 g/mol. Its IUPAC name is azane;pyrazol-3-one.

Molecular Properties

Compound Nameazane;pyrazol-3-one
PubChem CID68665752
Molecular FormulaC3H8N4O
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC Nameazane;pyrazol-3-one
SMILESN.N.O=C1C=CN=N1
InChIInChI=1S/C3H2N2O.2H3N/c6-3-1-2-4-5-3;;/h1-2H;2*1H3
InChIKeyBTKNXDMRTRANHB-UHFFFAOYSA-N
XLogP0.82
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze azane;pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;pyrazol-3-one?
The IUPAC name of azane;pyrazol-3-one (CID 68665752) is azane;pyrazol-3-one.
What is the SMILES notation for azane;pyrazol-3-one?
The canonical SMILES for azane;pyrazol-3-one is N.N.O=C1C=CN=N1.
What is the InChIKey of azane;pyrazol-3-one?
The InChIKey is BTKNXDMRTRANHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O.2H3N/c6-3-1-2-4-5-3;;/h1-2H;2*1H3.
What are the key properties of azane;pyrazol-3-one?
azane;pyrazol-3-one has a molecular weight of 116.12 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pyrazol-3-one is sourced from PubChem (CID 68665752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).