trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane

C16H18N2S — CID 129168800

IUPACtrimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane
SMILESCc1cc(-c2ccccc2)nnc1C#CS(C)(C)C
InChIInChI=1S/C16H18N2S/c1-13-12-16(14-8-6-5-7-9-14)18-17-15(13)10-11-19(2,3)4/h5-9,12H,1-4H3
InChIKeyHCJQNZYJSWFGRT-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.46
Rot. Bonds1

About trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane

trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane (PubChem CID 129168800) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane
PubChem CID129168800
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Nametrimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane
SMILESCc1cc(-c2ccccc2)nnc1C#CS(C)(C)C
InChIInChI=1S/C16H18N2S/c1-13-12-16(14-8-6-5-7-9-14)18-17-15(13)10-11-19(2,3)4/h5-9,12H,1-4H3
InChIKeyHCJQNZYJSWFGRT-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,3-diethoxyprop-1-ynyl)-4-methyl-6-phenylpyridazine
CID 14922189
3,4-dimethyl-6-phenylpyridazine
CID 14040320
4-methyl-N,6-diphenylpyridazin-3-amine
CID 59867404
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
CID 6410802
4-methyl-3-(4-methylpiperazin-1-yl)-6-phenylpyridazine
CID 13218685
1-N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,1-diamine;hydrate;dihydrochloride
CID 20836582
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
N-(4-methyl-6-phenylpyridazin-3-yl)-N',N'-dipropylethane-1,2-diamine;oxalate
CID 20836587
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
CID 59867380
4-methylsulfanyl-3,6-diphenylpyridazine
CID 135021385
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane?
The IUPAC name of trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane (CID 129168800) is trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane is Cc1cc(-c2ccccc2)nnc1C#CS(C)(C)C.
What is the InChIKey of trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane?
The InChIKey is HCJQNZYJSWFGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-13-12-16(14-8-6-5-7-9-14)18-17-15(13)10-11-19(2,3)4/h5-9,12H,1-4H3.
What are the key properties of trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane?
trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane has a molecular weight of 270.40 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-methyl-6-phenylpyridazin-3-yl)ethynyl]-λ4-sulfane is sourced from PubChem (CID 129168800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).