5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide

C14H23N5S — CID 114536982

IUPAC5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide
SMILESCc1nnc(N2CC(C)N(C)C(C)C2)c(C(N)=S)c1C
InChIInChI=1S/C14H23N5S/c1-8-6-19(7-9(2)18(8)5)14-12(13(15)20)10(3)11(4)16-17-14/h8-9H,6-7H2,1-5H3,(H2,15,20)
InChIKeyUKPJOLHSGFRGSF-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.26
Rot. Bonds2

About 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide

5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide (PubChem CID 114536982) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide
PubChem CID114536982
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide
SMILESCc1nnc(N2CC(C)N(C)C(C)C2)c(C(N)=S)c1C
InChIInChI=1S/C14H23N5S/c1-8-6-19(7-9(2)18(8)5)14-12(13(15)20)10(3)11(4)16-17-14/h8-9H,6-7H2,1-5H3,(H2,15,20)
InChIKeyUKPJOLHSGFRGSF-UHFFFAOYSA-N
XLogP1.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide (CID 114536982) is 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide is Cc1nnc(N2CC(C)N(C)C(C)C2)c(C(N)=S)c1C.
What is the InChIKey of 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide?
The InChIKey is UKPJOLHSGFRGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-8-6-19(7-9(2)18(8)5)14-12(13(15)20)10(3)11(4)16-17-14/h8-9H,6-7H2,1-5H3,(H2,15,20).
What are the key properties of 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide?
5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide has a molecular weight of 293.44 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(3,4,5-trimethylpiperazin-1-yl)pyridazine-4-carbothioamide is sourced from PubChem (CID 114536982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).