CID 157220346

C3H3BN3 — CID 157220346

IUPAC—
SMILES[B].c1cnnnc1
InChIInChI=1S/C3H3N3.B/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyUDMAESBEKBVKQX-UHFFFAOYSA-N
MW91.89 g/mol
LogP-0.51
Rot. Bonds

About CID 157220346

CID 157220346 (PubChem CID 157220346) has the molecular formula C3H3BN3 and a molecular weight of 91.89 g/mol.

Molecular Properties

Compound NameCID 157220346
PubChem CID157220346
Molecular FormulaC3H3BN3
Molecular Weight91.89 g/mol
Exact Mass92.04
IUPAC Name—
SMILES[B].c1cnnnc1
InChIInChI=1S/C3H3N3.B/c1-2-4-6-5-3-1;/h1-3H;
InChIKeyUDMAESBEKBVKQX-UHFFFAOYSA-N
XLogP-0.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.89
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 157220346 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 157220346?
The IUPAC name of CID 157220346 (CID 157220346) is not available.
What is the SMILES notation for CID 157220346?
The canonical SMILES for CID 157220346 is [B].c1cnnnc1.
What is the InChIKey of CID 157220346?
The InChIKey is UDMAESBEKBVKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.B/c1-2-4-6-5-3-1;/h1-3H;.
What are the key properties of CID 157220346?
CID 157220346 has a molecular weight of 91.89 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157220346 is sourced from PubChem (CID 157220346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).