5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one

C10H14N2OS — CID 106549187

IUPAC5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESCc1cnn(CC2(CS)CC2)c(=O)c1
InChIInChI=1S/C10H14N2OS/c1-8-4-9(13)12(11-5-8)6-10(7-14)2-3-10/h4-5,14H,2-3,6-7H2,1H3
InChIKeyIVIPGZGJAPIOKA-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.26
Rot. Bonds3

About 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one

5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one (PubChem CID 106549187) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
PubChem CID106549187
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESCc1cnn(CC2(CS)CC2)c(=O)c1
InChIInChI=1S/C10H14N2OS/c1-8-4-9(13)12(11-5-8)6-10(7-14)2-3-10/h4-5,14H,2-3,6-7H2,1H3
InChIKeyIVIPGZGJAPIOKA-UHFFFAOYSA-N
XLogP1.26
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.26
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)cyclopropyl]methyl]pyridazin-3-one
CID 80022015
2-(2,2-Dimethyl-3-sulfanylpropyl)pyridazin-3-one
CID 80022212
2-[2-(Sulfanylmethyl)butyl]pyridazin-3-one
CID 80022214
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-[2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 106549188
2-[2-Ethyl-2-(sulfanylmethyl)butyl]-5-methylpyridazin-3-one
CID 106549189
5-Methyl-2-[2-propyl-2-(sulfanylmethyl)pentyl]pyridazin-3-one
CID 106549191
5-Methyl-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 106549192
5-Methyl-2-(9-sulfanylnonyl)pyridazin-3-one
CID 106549193

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one (CID 106549187) is 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one is Cc1cnn(CC2(CS)CC2)c(=O)c1.
What is the InChIKey of 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
The InChIKey is IVIPGZGJAPIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8-4-9(13)12(11-5-8)6-10(7-14)2-3-10/h4-5,14H,2-3,6-7H2,1H3.
What are the key properties of 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one?
5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one has a molecular weight of 210.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[1-(sulfanylmethyl)cyclopropyl]methyl]pyridazin-3-one is sourced from PubChem (CID 106549187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).