CID 59694613

C4H4N2O — CID 59694613

IUPAC—
SMILES[CH]c1cc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O/c1-3-2-4(7)6-5-3/h1-2H,(H2,5,6,7)
InChIKeyPJHRGADSVZOLFZ-UHFFFAOYSA-N
MW96.09 g/mol
LogP-0.24
Rot. Bonds

About CID 59694613

CID 59694613 (PubChem CID 59694613) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol.

Molecular Properties

Compound NameCID 59694613
PubChem CID59694613
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Name—
SMILES[CH]c1cc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O/c1-3-2-4(7)6-5-3/h1-2H,(H2,5,6,7)
InChIKeyPJHRGADSVZOLFZ-UHFFFAOYSA-N
XLogP-0.24
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 59694613?
The IUPAC name of CID 59694613 (CID 59694613) is not available.
What is the SMILES notation for CID 59694613?
The canonical SMILES for CID 59694613 is [CH]c1cc(=O)[nH][nH]1.
What is the InChIKey of CID 59694613?
The InChIKey is PJHRGADSVZOLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O/c1-3-2-4(7)6-5-3/h1-2H,(H2,5,6,7).
What are the key properties of CID 59694613?
CID 59694613 has a molecular weight of 96.09 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694613 is sourced from PubChem (CID 59694613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).