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

C13H22N4S — CID 63958918

IUPAC5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide
SMILESCCC(C)(C)N(C)c1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C13H22N4S/c1-7-13(4,5)17(6)12-10(11(14)18)8(2)9(3)15-16-12/h7H2,1-6H3,(H2,14,18)
InChIKeyNBQFGDFIQTWENC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.35
Rot. Bonds4

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

5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide (PubChem CID 63958918) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide
PubChem CID63958918
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide
SMILESCCC(C)(C)N(C)c1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C13H22N4S/c1-7-13(4,5)17(6)12-10(11(14)18)8(2)9(3)15-16-12/h7H2,1-6H3,(H2,14,18)
InChIKeyNBQFGDFIQTWENC-UHFFFAOYSA-N
XLogP2.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide (CID 63958918) is 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide is CCC(C)(C)N(C)c1nnc(C)c(C)c1C(N)=S.
What is the InChIKey of 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide?
The InChIKey is NBQFGDFIQTWENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-7-13(4,5)17(6)12-10(11(14)18)8(2)9(3)15-16-12/h7H2,1-6H3,(H2,14,18).
What are the key properties of 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide?
5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide has a molecular weight of 266.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(2-methylbutan-2-yl)amino]pyridazine-4-carbothioamide is sourced from PubChem (CID 63958918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).