3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine

C14H11BrN4S — CID 56724884

IUPAC3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
SMILESBrc1ccc(CSc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C14H11BrN4S/c15-12-3-1-11(2-4-12)9-20-14-6-5-13(17-18-14)19-8-7-16-10-19/h1-8,10H,9H2
InChIKeyVYOMQBFUXFIVPG-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.72
Rot. Bonds4

About 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine

3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine (PubChem CID 56724884) has the molecular formula C14H11BrN4S and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
PubChem CID56724884
Molecular FormulaC14H11BrN4S
Molecular Weight347.24 g/mol
Exact Mass345.99
IUPAC Name3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
SMILESBrc1ccc(CSc2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C14H11BrN4S/c15-12-3-1-11(2-4-12)9-20-14-6-5-13(17-18-14)19-8-7-16-10-19/h1-8,10H,9H2
InChIKeyVYOMQBFUXFIVPG-UHFFFAOYSA-N
XLogP3.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methylphenyl)ethanone
CID 121031343
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 121031340
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 121031351
3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 43936867
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56724875
3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
CID 121031375
5-[6-[(4-bromophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole
CID 7222622
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
CID 121031313
(6-imidazol-1-ylpyridazin-3-yl)hydrazine;dihydrochloride
CID 3031322
2-[(4-bromophenyl)methylsulfanyl]-5-nitropyridine
CID 4910238
3-imidazol-1-ylpyridazine
CID 19095571

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
The IUPAC name of 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine (CID 56724884) is 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine.
What is the SMILES notation for 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
The canonical SMILES for 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine is Brc1ccc(CSc2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
The InChIKey is VYOMQBFUXFIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4S/c15-12-3-1-11(2-4-12)9-20-14-6-5-13(17-18-14)19-8-7-16-10-19/h1-8,10H,9H2.
What are the key properties of 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine has a molecular weight of 347.24 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine is sourced from PubChem (CID 56724884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).