CID 175434437

C8H10B3N4 — CID 175434437

IUPAC—
SMILES[B]1N[B]N[B]N1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.B3H3N3/c1-2-4-8-7(3-1)5-6-9-8;1-4-2-6-3-5-1/h1-6,9H;4-6H
InChIKeyRFGLWHPFOFEXIZ-UHFFFAOYSA-N
MW194.63 g/mol
LogP-0.46
Rot. Bonds

About CID 175434437

CID 175434437 (PubChem CID 175434437) has the molecular formula C8H10B3N4 and a molecular weight of 194.63 g/mol.

Molecular Properties

Compound NameCID 175434437
PubChem CID175434437
Molecular FormulaC8H10B3N4
Molecular Weight194.63 g/mol
Exact Mass195.12
IUPAC Name—
SMILES[B]1N[B]N[B]N1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.B3H3N3/c1-2-4-8-7(3-1)5-6-9-8;1-4-2-6-3-5-1/h1-6,9H;4-6H
InChIKeyRFGLWHPFOFEXIZ-UHFFFAOYSA-N
XLogP-0.46
TPSA51.88 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 175434437?
The IUPAC name of CID 175434437 (CID 175434437) is not available.
What is the SMILES notation for CID 175434437?
The canonical SMILES for CID 175434437 is [B]1N[B]N[B]N1.c1ccc2[nH]ccc2c1.
What is the InChIKey of CID 175434437?
The InChIKey is RFGLWHPFOFEXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.B3H3N3/c1-2-4-8-7(3-1)5-6-9-8;1-4-2-6-3-5-1/h1-6,9H;4-6H.
What are the key properties of CID 175434437?
CID 175434437 has a molecular weight of 194.63 g/mol, XLogP of -0.46, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175434437 is sourced from PubChem (CID 175434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).