3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide

C13H13ClN4S — CID 61091978

IUPAC3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2ccccc2Cl)nnc(C)c1C
InChIInChI=1S/C13H13ClN4S/c1-7-8(2)17-18-13(11(7)12(15)16)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16)
InChIKeyDXGXYNHBOSDLMV-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.18
Rot. Bonds3

About 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide

3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61091978) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61091978
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(Sc2ccccc2Cl)nnc(C)c1C
InChIInChI=1S/C13H13ClN4S/c1-7-8(2)17-18-13(11(7)12(15)16)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16)
InChIKeyDXGXYNHBOSDLMV-UHFFFAOYSA-N
XLogP3.18
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
3-(3-bromophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 62804242
3-(1H-imidazol-2-ylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 114000749
5,6-dimethyl-3-(2-methylsulfanylphenoxy)pyridazine-4-carboximidamide
CID 63649514
5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
CID 104603193
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 55079053
2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide
CID 62496202
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine
CID 82235546
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide (CID 61091978) is 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(Sc2ccccc2Cl)nnc(C)c1C.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is DXGXYNHBOSDLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-7-8(2)17-18-13(11(7)12(15)16)19-10-6-4-3-5-9(10)14/h3-6H,1-2H3,(H3,15,16).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 292.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61091978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).