CID 145425499

C6H4B3N5 — CID 145425499

IUPAC—
SMILES[B]C([B])([B])c1nc(N)c2nccn2n1
InChIInChI=1S/C6H4B3N5/c7-6(8,9)5-12-3(10)4-11-1-2-14(4)13-5/h1-2H,(H2,10,12,13)
InChIKeyJFIOBTSWGDRQTA-UHFFFAOYSA-N
MW178.57 g/mol
LogP-1.68
Rot. Bonds1

About CID 145425499

CID 145425499 (PubChem CID 145425499) has the molecular formula C6H4B3N5 and a molecular weight of 178.57 g/mol.

Molecular Properties

Compound NameCID 145425499
PubChem CID145425499
Molecular FormulaC6H4B3N5
Molecular Weight178.57 g/mol
Exact Mass179.07
IUPAC Name—
SMILES[B]C([B])([B])c1nc(N)c2nccn2n1
InChIInChI=1S/C6H4B3N5/c7-6(8,9)5-12-3(10)4-11-1-2-14(4)13-5/h1-2H,(H2,10,12,13)
InChIKeyJFIOBTSWGDRQTA-UHFFFAOYSA-N
XLogP-1.68
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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7-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazine-6,8-diamine
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imidazo[1,2-a]pyrazine-6,8-diamine
CID 80796979
6-tert-butyl-8-fluoroimidazo[1,2-b]pyridazine
CID 59580151
8-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 168914104
6,8-dibromoimidazo[1,2-b]pyridazine
CID 46835270
8-N,8-N,5-trimethylimidazo[1,2-c]pyrimidine-7,8-diamine
CID 163616168
6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile
CID 86644108
2-(tribromomethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 150537386
8-bromo-6-fluoroimidazo[1,2-b]pyridazine
CID 144690086
CID 171535675
CID 171535675
7-aminoimidazo[1,2-c]pyrimidine-8-carbaldehyde
CID 145057079

Frequently Asked Questions

What is the IUPAC name of CID 145425499?
The IUPAC name of CID 145425499 (CID 145425499) is not available.
What is the SMILES notation for CID 145425499?
The canonical SMILES for CID 145425499 is [B]C([B])([B])c1nc(N)c2nccn2n1.
What is the InChIKey of CID 145425499?
The InChIKey is JFIOBTSWGDRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4B3N5/c7-6(8,9)5-12-3(10)4-11-1-2-14(4)13-5/h1-2H,(H2,10,12,13).
What are the key properties of CID 145425499?
CID 145425499 has a molecular weight of 178.57 g/mol, XLogP of -1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145425499 is sourced from PubChem (CID 145425499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).