CID 158045573

CH6BN2 — CID 158045573

IUPAC—
SMILESCNN.[B]
InChIInChI=1S/CH6N2.B/c1-3-2;/h3H,2H2,1H3;
InChIKeyFDYVHAMXDXQWDR-UHFFFAOYSA-N
MW56.88 g/mol
LogP-1.30
Rot. Bonds

About CID 158045573

CID 158045573 (PubChem CID 158045573) has the molecular formula CH6BN2 and a molecular weight of 56.88 g/mol.

Molecular Properties

Compound NameCID 158045573
PubChem CID158045573
Molecular FormulaCH6BN2
Molecular Weight56.88 g/mol
Exact Mass57.06
IUPAC Name—
SMILESCNN.[B]
InChIInChI=1S/CH6N2.B/c1-3-2;/h3H,2H2,1H3;
InChIKeyFDYVHAMXDXQWDR-UHFFFAOYSA-N
XLogP-1.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.88
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158045573?
The IUPAC name of CID 158045573 (CID 158045573) is not available.
What is the SMILES notation for CID 158045573?
The canonical SMILES for CID 158045573 is CNN.[B].
What is the InChIKey of CID 158045573?
The InChIKey is FDYVHAMXDXQWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2.B/c1-3-2;/h3H,2H2,1H3;.
What are the key properties of CID 158045573?
CID 158045573 has a molecular weight of 56.88 g/mol, XLogP of -1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158045573 is sourced from PubChem (CID 158045573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).