6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine

C11H18ClN3S — CID 63959679

IUPAC6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine
SMILESCSCC(C)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H18ClN3S/c1-7(6-16-4)5-13-11-9(3)8(2)10(12)14-15-11/h7H,5-6H2,1-4H3,(H,13,15)
InChIKeyDYMULRDIXDHYSG-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.16
Rot. Bonds5

About 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine (PubChem CID 63959679) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine
PubChem CID63959679
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine
SMILESCSCC(C)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C11H18ClN3S/c1-7(6-16-4)5-13-11-9(3)8(2)10(12)14-15-11/h7H,5-6H2,1-4H3,(H,13,15)
InChIKeyDYMULRDIXDHYSG-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine (CID 63959679) is 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine is CSCC(C)CNc1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine?
The InChIKey is DYMULRDIXDHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-7(6-16-4)5-13-11-9(3)8(2)10(12)14-15-11/h7H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine has a molecular weight of 259.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)pyridazin-3-amine is sourced from PubChem (CID 63959679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).