2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione

C24H17N3S — CID 137187475

IUPAC2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione
SMILESS=c1[nH]c(-c2ccccc2)c2c(-c3ccccc3)cc(-c3ccccc3)nn12
InChIInChI=1S/C24H17N3S/c28-24-25-22(19-14-8-3-9-15-19)23-20(17-10-4-1-5-11-17)16-21(26-27(23)24)18-12-6-2-7-13-18/h1-16H,(H,25,28)
InChIKeyDRPBZMBJRUIEKT-UHFFFAOYSA-N
MW379.49 g/mol
LogP6.39
Rot. Bonds3

About 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione

2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione (PubChem CID 137187475) has the molecular formula C24H17N3S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione.

Molecular Properties

Compound Name2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione
PubChem CID137187475
Molecular FormulaC24H17N3S
Molecular Weight379.49 g/mol
Exact Mass379.11
IUPAC Name2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione
SMILESS=c1[nH]c(-c2ccccc2)c2c(-c3ccccc3)cc(-c3ccccc3)nn12
InChIInChI=1S/C24H17N3S/c28-24-25-22(19-14-8-3-9-15-19)23-20(17-10-4-1-5-11-17)16-21(26-27(23)24)18-12-6-2-7-13-18/h1-16H,(H,25,28)
InChIKeyDRPBZMBJRUIEKT-UHFFFAOYSA-N
XLogP6.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135590645
3,4,5-triphenyl-1H-imidazole-2-thione
CID 807387
3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione
CID 54260632
2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol
CID 135502687
2,5,7-triphenylpyrazolo[1,5-a]pyridine
CID 12773469
1,3,5-triphenylpyrazole
CID 626614
(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
CID 103281269
3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-1H-benzimidazole-2-thione
CID 8024255
5-(1-fluoroethyl)-3-phenyl-1-propan-2-ylpyrazole
CID 90162115
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
5-methyl-2,3-diphenyl-1H-pyrrole
CID 19784711

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione?
The IUPAC name of 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione (CID 137187475) is 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione.
What is the SMILES notation for 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione?
The canonical SMILES for 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione is S=c1[nH]c(-c2ccccc2)c2c(-c3ccccc3)cc(-c3ccccc3)nn12.
What is the InChIKey of 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione?
The InChIKey is DRPBZMBJRUIEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3S/c28-24-25-22(19-14-8-3-9-15-19)23-20(17-10-4-1-5-11-17)16-21(26-27(23)24)18-12-6-2-7-13-18/h1-16H,(H,25,28).
What are the key properties of 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione?
2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione has a molecular weight of 379.49 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-6H-imidazo[1,5-b]pyridazine-7-thione is sourced from PubChem (CID 137187475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).