CID 164839139

C12H8BN4O2 — CID 164839139

IUPAC—
SMILESO[B]Oc1nc2nccnc2nc1-c1ccccc1
InChIInChI=1S/C12H8BN4O2/c18-13-19-12-9(8-4-2-1-3-5-8)16-10-11(17-12)15-7-6-14-10/h1-7,18H
InChIKeyFQSUFZFKHKVHGG-UHFFFAOYSA-N
MW251.03 g/mol
LogP0.99
Rot. Bonds3

About CID 164839139

CID 164839139 (PubChem CID 164839139) has the molecular formula C12H8BN4O2 and a molecular weight of 251.03 g/mol.

Molecular Properties

Compound NameCID 164839139
PubChem CID164839139
Molecular FormulaC12H8BN4O2
Molecular Weight251.03 g/mol
Exact Mass251.07
IUPAC Name—
SMILESO[B]Oc1nc2nccnc2nc1-c1ccccc1
InChIInChI=1S/C12H8BN4O2/c18-13-19-12-9(8-4-2-1-3-5-8)16-10-11(17-12)15-7-6-14-10/h1-7,18H
InChIKeyFQSUFZFKHKVHGG-UHFFFAOYSA-N
XLogP0.99
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
2-phenyl-3-[3-(2-phenylpyrazino[2,3-b]pyrazin-3-yl)naphthalen-2-yl]pyrazino[2,3-b]pyrazine
CID 20606864
CID 165059065
CID 165059065
CID 71771626
CID 71771626
CID 172517050
CID 172517050
2,3-diphenylpyrazine;pyridine
CID 175017097
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2-(4-bromophenyl)-3-phenylpyrido[2,3-b]pyrazine
CID 142746940
2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
2-methoxy-3,5-diphenylpyrazine
CID 13123633
CID 160726204
CID 160726204
3-phenyl-2-propan-2-ylpyrido[2,3-b]pyrazine
CID 59195149

Frequently Asked Questions

What is the IUPAC name of CID 164839139?
The IUPAC name of CID 164839139 (CID 164839139) is not available.
What is the SMILES notation for CID 164839139?
The canonical SMILES for CID 164839139 is O[B]Oc1nc2nccnc2nc1-c1ccccc1.
What is the InChIKey of CID 164839139?
The InChIKey is FQSUFZFKHKVHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BN4O2/c18-13-19-12-9(8-4-2-1-3-5-8)16-10-11(17-12)15-7-6-14-10/h1-7,18H.
What are the key properties of CID 164839139?
CID 164839139 has a molecular weight of 251.03 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164839139 is sourced from PubChem (CID 164839139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).