CID 143345547

C2H3BN4 — CID 143345547

IUPAC—
SMILES[B]c1nnnn1C
InChIInChI=1S/C2H3BN4/c1-7-2(3)4-5-6-7/h1H3
InChIKeyUPPRJELZBBCFHU-UHFFFAOYSA-N
MW93.89 g/mol
LogP-2.00
Rot. Bonds

About CID 143345547

CID 143345547 (PubChem CID 143345547) has the molecular formula C2H3BN4 and a molecular weight of 93.89 g/mol.

Molecular Properties

Compound NameCID 143345547
PubChem CID143345547
Molecular FormulaC2H3BN4
Molecular Weight93.89 g/mol
Exact Mass94.05
IUPAC Name—
SMILES[B]c1nnnn1C
InChIInChI=1S/C2H3BN4/c1-7-2(3)4-5-6-7/h1H3
InChIKeyUPPRJELZBBCFHU-UHFFFAOYSA-N
XLogP-2.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.89
LogP ≤ 5-2.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143345547?
The IUPAC name of CID 143345547 (CID 143345547) is not available.
What is the SMILES notation for CID 143345547?
The canonical SMILES for CID 143345547 is [B]c1nnnn1C.
What is the InChIKey of CID 143345547?
The InChIKey is UPPRJELZBBCFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BN4/c1-7-2(3)4-5-6-7/h1H3.
What are the key properties of CID 143345547?
CID 143345547 has a molecular weight of 93.89 g/mol, XLogP of -2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143345547 is sourced from PubChem (CID 143345547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).