5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one

C14H24N2OS — CID 106549191

IUPAC5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
SMILESCCCC(CS)(CCC)Cn1ncc(C)cc1=O
InChIInChI=1S/C14H24N2OS/c1-4-6-14(11-18,7-5-2)10-16-13(17)8-12(3)9-15-16/h8-9,18H,4-7,10-11H2,1-3H3
InChIKeyMFGLPLVFMJFHPS-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.07
Rot. Bonds7

About 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one

5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one (PubChem CID 106549191) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
PubChem CID106549191
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
SMILESCCCC(CS)(CCC)Cn1ncc(C)cc1=O
InChIInChI=1S/C14H24N2OS/c1-4-6-14(11-18,7-5-2)10-16-13(17)8-12(3)9-15-16/h8-9,18H,4-7,10-11H2,1-3H3
InChIKeyMFGLPLVFMJFHPS-UHFFFAOYSA-N
XLogP3.07
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(Sulfanylmethyl)cyclopentyl]methyl]pyridazin-3-one
CID 80022016
2-[2-Propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 80022112
2-[2-Ethyl-2-(sulfanylmethyl)butyl]pyridazin-3-one
CID 80022115
2-[[1-(Sulfanylmethyl)cyclohexyl]methyl]pyridazin-3-one
CID 80022313
2-[[1-(Sulfanylmethyl)cycloheptyl]methyl]pyridazin-3-one
CID 80022414
2-[2-(Bromomethyl)-2-propylpentyl]-5-methylpyridazin-3-one
CID 106548490
2,2-Dimethyl-5-(4-methyl-6-oxopyridazin-1-yl)pentanethioamide
CID 106548724
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-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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one (CID 106549191) is 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one is CCCC(CS)(CCC)Cn1ncc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
The InChIKey is MFGLPLVFMJFHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-6-14(11-18,7-5-2)10-16-13(17)8-12(3)9-15-16/h8-9,18H,4-7,10-11H2,1-3H3.
What are the key properties of 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one?
5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one has a molecular weight of 268.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one is sourced from PubChem (CID 106549191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).