6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine

C12H20ClN3S — CID 112663140

IUPAC6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
SMILESCCC(CSC)N(C)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H20ClN3S/c1-6-10(7-17-5)16(4)12-9(3)8(2)11(13)14-15-12/h10H,6-7H2,1-5H3
InChIKeyNXCWESGPKXFBPW-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.32
Rot. Bonds5

About 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine

6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine (PubChem CID 112663140) has the molecular formula C12H20ClN3S and a molecular weight of 273.83 g/mol. Its IUPAC name is 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
PubChem CID112663140
Molecular FormulaC12H20ClN3S
Molecular Weight273.83 g/mol
Exact Mass273.11
IUPAC Name6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
SMILESCCC(CSC)N(C)c1nnc(Cl)c(C)c1C
InChIInChI=1S/C12H20ClN3S/c1-6-10(7-17-5)16(4)12-9(3)8(2)11(13)14-15-12/h10H,6-7H2,1-5H3
InChIKeyNXCWESGPKXFBPW-UHFFFAOYSA-N
XLogP3.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine (CID 112663140) is 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine is CCC(CSC)N(C)c1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
The InChIKey is NXCWESGPKXFBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3S/c1-6-10(7-17-5)16(4)12-9(3)8(2)11(13)14-15-12/h10H,6-7H2,1-5H3.
What are the key properties of 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine has a molecular weight of 273.83 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,4,5-trimethyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 112663140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).