CID 57456851

C4H5N2 — CID 57456851

IUPAC—
SMILES[CH]1C=CNC=N1
InChIInChI=1S/C4H5N2/c1-2-5-4-6-3-1/h1-4H,(H,5,6)
InChIKeyGZADFIRBJNODAA-UHFFFAOYSA-N
MW81.10 g/mol
LogP0.29
Rot. Bonds

About CID 57456851

CID 57456851 (PubChem CID 57456851) has the molecular formula C4H5N2 and a molecular weight of 81.10 g/mol.

Molecular Properties

Compound NameCID 57456851
PubChem CID57456851
Molecular FormulaC4H5N2
Molecular Weight81.10 g/mol
Exact Mass81.05
IUPAC Name—
SMILES[CH]1C=CNC=N1
InChIInChI=1S/C4H5N2/c1-2-5-4-6-3-1/h1-4H,(H,5,6)
InChIKeyGZADFIRBJNODAA-UHFFFAOYSA-N
XLogP0.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.10
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 57456851?
The IUPAC name of CID 57456851 (CID 57456851) is not available.
What is the SMILES notation for CID 57456851?
The canonical SMILES for CID 57456851 is [CH]1C=CNC=N1.
What is the InChIKey of CID 57456851?
The InChIKey is GZADFIRBJNODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2/c1-2-5-4-6-3-1/h1-4H,(H,5,6).
What are the key properties of CID 57456851?
CID 57456851 has a molecular weight of 81.10 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57456851 is sourced from PubChem (CID 57456851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).