5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide

C15H25N3OS — CID 103283785

IUPAC5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide
SMILESCCCC(C)COc1nnc(CC)c(CC)c1C(N)=S
InChIInChI=1S/C15H25N3OS/c1-5-8-10(4)9-19-15-13(14(16)20)11(6-2)12(7-3)17-18-15/h10H,5-9H2,1-4H3,(H2,16,20)
InChIKeyPFGOLWPEOXCIHZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.05
Rot. Bonds8

About 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide

5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide (PubChem CID 103283785) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide
PubChem CID103283785
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide
SMILESCCCC(C)COc1nnc(CC)c(CC)c1C(N)=S
InChIInChI=1S/C15H25N3OS/c1-5-8-10(4)9-19-15-13(14(16)20)11(6-2)12(7-3)17-18-15/h10H,5-9H2,1-4H3,(H2,16,20)
InChIKeyPFGOLWPEOXCIHZ-UHFFFAOYSA-N
XLogP3.05
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethyl-3-propoxypyridazine-4-carbothioamide
CID 80512775
5,6-diethyl-3-(pentan-2-ylamino)pyridazine-4-carbothioamide
CID 80510877
5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide
CID 80511514
5,6-diethyl-3-(2-methylpropoxy)pyridazine-4-carboximidamide
CID 80514321
5,6-diethyl-3-(heptan-2-ylamino)pyridazine-4-carbothioamide
CID 80511129
5,6-diethyl-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridazine-4-carbothioamide
CID 106597120
5,6-diethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbothioamide
CID 80511616
2-fluoro-6-(2-methylpentoxy)benzenecarbothioamide
CID 62266227
5,6-diethyl-3-[ethyl(propyl)amino]pyridazine-4-carbothioamide
CID 80512225
3-chloro-4,5-dimethyl-6-(2-methylpentoxy)pyridazine
CID 103283695
5,6-diethyl-3-(2-methylimidazol-1-yl)pyridazine-4-carbothioamide
CID 80511813
5-amino-6-(2-methylpentoxy)pyridine-2-carboxamide
CID 103284510

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide?
The IUPAC name of 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide (CID 103283785) is 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide is CCCC(C)COc1nnc(CC)c(CC)c1C(N)=S.
What is the InChIKey of 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide?
The InChIKey is PFGOLWPEOXCIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-5-8-10(4)9-19-15-13(14(16)20)11(6-2)12(7-3)17-18-15/h10H,5-9H2,1-4H3,(H2,16,20).
What are the key properties of 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide?
5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide has a molecular weight of 295.45 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-methylpentoxy)pyridazine-4-carbothioamide is sourced from PubChem (CID 103283785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).