5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide

C12H20N4S2 — CID 112659783

IUPAC5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide
SMILESCSCC(C)N(C)c1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C12H20N4S2/c1-7(6-18-5)16(4)12-10(11(13)17)8(2)9(3)14-15-12/h7H,6H2,1-5H3,(H2,13,17)
InChIKeyOGUHZIUBQASEJC-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.92
Rot. Bonds5

About 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide

5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide (PubChem CID 112659783) has the molecular formula C12H20N4S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide
PubChem CID112659783
Molecular FormulaC12H20N4S2
Molecular Weight284.45 g/mol
Exact Mass284.11
IUPAC Name5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide
SMILESCSCC(C)N(C)c1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C12H20N4S2/c1-7(6-18-5)16(4)12-10(11(13)17)8(2)9(3)14-15-12/h7H,6H2,1-5H3,(H2,13,17)
InChIKeyOGUHZIUBQASEJC-UHFFFAOYSA-N
XLogP1.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 55008651
3-[bis(2-methylpropyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61378299
5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide
CID 63958918
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61098045
N'-hydroxy-3-[1-hydroxypropan-2-yl(methyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136951845
3-[2-hydroxyethyl(propyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61426032
4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
CID 112667940
methyl 3-[(4-carbamothioyl-5,6-dimethylpyridazin-3-yl)-methylamino]propanoate
CID 55001699
3-[1-(dimethylamino)propan-2-ylamino]-5,6-dimethylpyridazine-4-carbothioamide
CID 82937928
2-[methyl(1-methylsulfanylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547939
3-[cyclopropyl(cyclopropylmethyl)amino]-5,6-dimethylpyridazine-4-carbothioamide
CID 64521356
2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
CID 112667867

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide (CID 112659783) is 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide is CSCC(C)N(C)c1nnc(C)c(C)c1C(N)=S.
What is the InChIKey of 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide?
The InChIKey is OGUHZIUBQASEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2/c1-7(6-18-5)16(4)12-10(11(13)17)8(2)9(3)14-15-12/h7H,6H2,1-5H3,(H2,13,17).
What are the key properties of 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide?
5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide has a molecular weight of 284.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 112659783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).