5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide

C14H24N4OS — CID 106010142

IUPAC5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
SMILESCc1nnc(NCCCCOC(C)C)c(C(N)=S)c1C
InChIInChI=1S/C14H24N4OS/c1-9(2)19-8-6-5-7-16-14-12(13(15)20)10(3)11(4)17-18-14/h9H,5-8H2,1-4H3,(H2,15,20)(H,16,18)
InChIKeyPITOZUXKNIVQFZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.34
Rot. Bonds8

About 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide

5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide (PubChem CID 106010142) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
PubChem CID106010142
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
SMILESCc1nnc(NCCCCOC(C)C)c(C(N)=S)c1C
InChIInChI=1S/C14H24N4OS/c1-9(2)19-8-6-5-7-16-14-12(13(15)20)10(3)11(4)17-18-14/h9H,5-8H2,1-4H3,(H2,15,20)(H,16,18)
InChIKeyPITOZUXKNIVQFZ-UHFFFAOYSA-N
XLogP2.34
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-3-(2-propan-2-yloxyethylamino)pyridazine-4-carbothioamide
CID 104761787
3-(2-ethoxyethylamino)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098457
3-(2,3-dimethylbutylamino)-5,6-dimethylpyridazine-4-carbothioamide
CID 64598722
5,6-dimethyl-3-(3-pyrrolidin-1-ylpropylamino)pyridazine-4-carbothioamide
CID 62993232
3-[2-(diethylamino)ethylamino]-5,6-dimethylpyridazine-4-carbothioamide
CID 61097438
3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide
CID 106010196
3-(2,2-difluoroethylamino)-5,6-dimethylpyridazine-4-carbothioamide
CID 115407225
5,6-dimethyl-3-(2-sulfamoylethylamino)pyridazine-4-carbothioamide
CID 61098258
3-[2-[ethyl(methyl)amino]ethylamino]-5,6-dimethylpyridazine-4-carbothioamide
CID 62641522
3-[1-(dimethylamino)propan-2-ylamino]-5,6-dimethylpyridazine-4-carbothioamide
CID 82937928
3-[(4-carbamothioyl-5,6-dimethylpyridazin-3-yl)amino]-2,2-dimethylpropanamide
CID 106277533
6-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136897

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide (CID 106010142) is 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide is Cc1nnc(NCCCCOC(C)C)c(C(N)=S)c1C.
What is the InChIKey of 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide?
The InChIKey is PITOZUXKNIVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9(2)19-8-6-5-7-16-14-12(13(15)20)10(3)11(4)17-18-14/h9H,5-8H2,1-4H3,(H2,15,20)(H,16,18).
What are the key properties of 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide?
5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide has a molecular weight of 296.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(4-propan-2-yloxybutylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 106010142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).