5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide

C15H26N4OS — CID 80511514

IUPAC5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide
SMILESCCCC(COC)Nc1nnc(CC)c(CC)c1C(N)=S
InChIInChI=1S/C15H26N4OS/c1-5-8-10(9-20-4)17-15-13(14(16)21)11(6-2)12(7-3)18-19-15/h10H,5-9H2,1-4H3,(H2,16,21)(H,17,19)
InChIKeyISCWGMOQOPIZLQ-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.46
Rot. Bonds9

About 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide

5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide (PubChem CID 80511514) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide
PubChem CID80511514
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide
SMILESCCCC(COC)Nc1nnc(CC)c(CC)c1C(N)=S
InChIInChI=1S/C15H26N4OS/c1-5-8-10(9-20-4)17-15-13(14(16)21)11(6-2)12(7-3)18-19-15/h10H,5-9H2,1-4H3,(H2,16,21)(H,17,19)
InChIKeyISCWGMOQOPIZLQ-UHFFFAOYSA-N
XLogP2.46
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
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-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide?
The IUPAC name of 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide (CID 80511514) is 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide is CCCC(COC)Nc1nnc(CC)c(CC)c1C(N)=S.
What is the InChIKey of 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide?
The InChIKey is ISCWGMOQOPIZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-8-10(9-20-4)17-15-13(14(16)21)11(6-2)12(7-3)18-19-15/h10H,5-9H2,1-4H3,(H2,16,21)(H,17,19).
What are the key properties of 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide?
5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide has a molecular weight of 310.47 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(1-methoxypentan-2-ylamino)pyridazine-4-carbothioamide is sourced from PubChem (CID 80511514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).