CID 59716336

C4H4N2O — CID 59716336

IUPAC—
SMILES[CH]c1nc(C)no1
InChIInChI=1S/C4H4N2O/c1-3-5-4(2)7-6-3/h2H,1H3
InChIKeyINOIPOABAGXRDV-UHFFFAOYSA-N
MW96.09 g/mol
LogP0.44
Rot. Bonds

About CID 59716336

CID 59716336 (PubChem CID 59716336) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol.

Molecular Properties

Compound NameCID 59716336
PubChem CID59716336
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Name—
SMILES[CH]c1nc(C)no1
InChIInChI=1S/C4H4N2O/c1-3-5-4(2)7-6-3/h2H,1H3
InChIKeyINOIPOABAGXRDV-UHFFFAOYSA-N
XLogP0.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 59716336 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 CID 59716336?
The IUPAC name of CID 59716336 (CID 59716336) is not available.
What is the SMILES notation for CID 59716336?
The canonical SMILES for CID 59716336 is [CH]c1nc(C)no1.
What is the InChIKey of CID 59716336?
The InChIKey is INOIPOABAGXRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O/c1-3-5-4(2)7-6-3/h2H,1H3.
What are the key properties of CID 59716336?
CID 59716336 has a molecular weight of 96.09 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59716336 is sourced from PubChem (CID 59716336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).