CID 20626795

CH3BN2 — CID 20626795

IUPAC—
SMILES[B]/N=N/C
InChIInChI=1S/CH3BN2/c1-3-4-2/h1H3/b4-3+
InChIKeyJNPPWDRAGHMOQD-ONEGZZNKSA-N
MW53.86 g/mol
LogP0.15
Rot. Bonds

About CID 20626795

CID 20626795 (PubChem CID 20626795) has the molecular formula CH3BN2 and a molecular weight of 53.86 g/mol.

Molecular Properties

Compound NameCID 20626795
PubChem CID20626795
Molecular FormulaCH3BN2
Molecular Weight53.86 g/mol
Exact Mass54.04
IUPAC Name—
SMILES[B]/N=N/C
InChIInChI=1S/CH3BN2/c1-3-4-2/h1H3/b4-3+
InChIKeyJNPPWDRAGHMOQD-ONEGZZNKSA-N
XLogP0.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50053.86
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 20626795?
The IUPAC name of CID 20626795 (CID 20626795) is not available.
What is the SMILES notation for CID 20626795?
The canonical SMILES for CID 20626795 is [B]/N=N/C.
What is the InChIKey of CID 20626795?
The InChIKey is JNPPWDRAGHMOQD-ONEGZZNKSA-N. The full InChI is InChI=1S/CH3BN2/c1-3-4-2/h1H3/b4-3+.
What are the key properties of CID 20626795?
CID 20626795 has a molecular weight of 53.86 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20626795 is sourced from PubChem (CID 20626795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).