5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide

C13H22N4S — CID 80515805

IUPAC5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(SCC(C)C)nnc(CC)c1CC
InChIInChI=1S/C13H22N4S/c1-5-9-10(6-2)16-17-13(11(9)12(14)15)18-7-8(3)4/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeyRBEQEJYCZRYHFO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.63
Rot. Bonds6

About 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide

5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide (PubChem CID 80515805) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide
PubChem CID80515805
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(SCC(C)C)nnc(CC)c1CC
InChIInChI=1S/C13H22N4S/c1-5-9-10(6-2)16-17-13(11(9)12(14)15)18-7-8(3)4/h8H,5-7H2,1-4H3,(H3,14,15)
InChIKeyRBEQEJYCZRYHFO-UHFFFAOYSA-N
XLogP2.63
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide (CID 80515805) is 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(SCC(C)C)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide?
The InChIKey is RBEQEJYCZRYHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-5-9-10(6-2)16-17-13(11(9)12(14)15)18-7-8(3)4/h8H,5-7H2,1-4H3,(H3,14,15).
What are the key properties of 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide?
5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide has a molecular weight of 266.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide is sourced from PubChem (CID 80515805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).