CID 59237758

C6H4B2N4 — CID 59237758

IUPAC—
SMILES[B]n1ccnc1-c1nccn1[B]
InChIInChI=1S/C6H4B2N4/c7-11-3-1-9-5(11)6-10-2-4-12(6)8/h1-4H
InChIKeyVTTZAKWLDOHKPM-UHFFFAOYSA-N
MW153.75 g/mol
LogP-0.39
Rot. Bonds1

About CID 59237758

CID 59237758 (PubChem CID 59237758) has the molecular formula C6H4B2N4 and a molecular weight of 153.75 g/mol.

Molecular Properties

Compound NameCID 59237758
PubChem CID59237758
Molecular FormulaC6H4B2N4
Molecular Weight153.75 g/mol
Exact Mass154.06
IUPAC Name—
SMILES[B]n1ccnc1-c1nccn1[B]
InChIInChI=1S/C6H4B2N4/c7-11-3-1-9-5(11)6-10-2-4-12(6)8/h1-4H
InChIKeyVTTZAKWLDOHKPM-UHFFFAOYSA-N
XLogP-0.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.75
LogP ≤ 5-0.39
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 59237758?
The IUPAC name of CID 59237758 (CID 59237758) is not available.
What is the SMILES notation for CID 59237758?
The canonical SMILES for CID 59237758 is [B]n1ccnc1-c1nccn1[B].
What is the InChIKey of CID 59237758?
The InChIKey is VTTZAKWLDOHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4B2N4/c7-11-3-1-9-5(11)6-10-2-4-12(6)8/h1-4H.
What are the key properties of CID 59237758?
CID 59237758 has a molecular weight of 153.75 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59237758 is sourced from PubChem (CID 59237758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).