5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one

C14H24N2OS — CID 106549193

IUPAC5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one
SMILESCc1cnn(CCCCCCCCCS)c(=O)c1
InChIInChI=1S/C14H24N2OS/c1-13-11-14(17)16(15-12-13)9-7-5-3-2-4-6-8-10-18/h11-12,18H,2-10H2,1H3
InChIKeyBFTOURPSRVIPRW-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.21
Rot. Bonds9

About 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one

5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one (PubChem CID 106549193) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one
PubChem CID106549193
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one
SMILESCc1cnn(CCCCCCCCCS)c(=O)c1
InChIInChI=1S/C14H24N2OS/c1-13-11-14(17)16(15-12-13)9-7-5-3-2-4-6-8-10-18/h11-12,18H,2-10H2,1H3
InChIKeyBFTOURPSRVIPRW-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-Sulfanylhexyl)pyridazin-3-one
CID 80022514
2-(9-Sulfanylnonyl)pyridazin-3-one
CID 105344584
5-(Dimethylamino)-2-(9-sulfanylnonyl)pyridazin-3-one
CID 105344681
5-[Ethyl(methyl)amino]-2-(9-sulfanylnonyl)pyridazin-3-one
CID 105344682
5-Methyl-2-[[1-(sulfanylmethyl)cyclobutyl]methyl]pyridazin-3-one
CID 106549183
2-[3,3-Dimethyl-2-(sulfanylmethyl)butyl]-5-methylpyridazin-3-one
CID 106549184
5-Methyl-2-(3-sulfanylpropyl)pyridazin-3-one
CID 106549185
5-Methyl-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 106549186
5-Methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
CID 106549187
5-Methyl-2-[2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 106549188
2-[2-Ethyl-2-(sulfanylmethyl)butyl]-5-methylpyridazin-3-one
CID 106549189
5-Methyl-2-[[1-(sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
CID 106549190

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one (CID 106549193) is 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one is Cc1cnn(CCCCCCCCCS)c(=O)c1.
What is the InChIKey of 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one?
The InChIKey is BFTOURPSRVIPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13-11-14(17)16(15-12-13)9-7-5-3-2-4-6-8-10-18/h11-12,18H,2-10H2,1H3.
What are the key properties of 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one?
5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one has a molecular weight of 268.43 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(9-sulfanylnonyl)pyridazin-3-one is sourced from PubChem (CID 106549193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).