5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide

C12H18N4OS — CID 106494553

IUPAC5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(SCC2CCCO2)nnc(C)c1C
InChIInChI=1S/C12H18N4OS/c1-7-8(2)15-16-12(10(7)11(13)14)18-6-9-4-3-5-17-9/h9H,3-6H2,1-2H3,(H3,13,14)
InChIKeyXJXJXHMBFOVTTP-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.65
Rot. Bonds4

About 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide

5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide (PubChem CID 106494553) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide
PubChem CID106494553
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(SCC2CCCO2)nnc(C)c1C
InChIInChI=1S/C12H18N4OS/c1-7-8(2)15-16-12(10(7)11(13)14)18-6-9-4-3-5-17-9/h9H,3-6H2,1-2H3,(H3,13,14)
InChIKeyXJXJXHMBFOVTTP-UHFFFAOYSA-N
XLogP1.65
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 106494556
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine
CID 106495006
5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
CID 80514008
[5-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 106498011
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
5-methyl-6-(oxolan-2-ylmethylsulfanyl)pyridine-3-carbaldehyde
CID 106496473
3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 114000749
3-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
CID 106494594
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
CID 104603193
2-chloro-5-methyl-4-(oxolan-2-ylmethylsulfanyl)pyrimidine
CID 106494855

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide (CID 106494553) is 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(SCC2CCCO2)nnc(C)c1C.
What is the InChIKey of 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide?
The InChIKey is XJXJXHMBFOVTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7-8(2)15-16-12(10(7)11(13)14)18-6-9-4-3-5-17-9/h9H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide?
5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide has a molecular weight of 266.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide is sourced from PubChem (CID 106494553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).