[5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine

C11H19N3S — CID 61097830

IUPAC[5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine
SMILESCc1nnc(SCC(C)C)c(CN)c1C
InChIInChI=1S/C11H19N3S/c1-7(2)6-15-11-10(5-12)8(3)9(4)13-14-11/h7H,5-6,12H2,1-4H3
InChIKeyGHSNXXAUOQVQNN-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.30
Rot. Bonds4

About [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine

[5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine (PubChem CID 61097830) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine
PubChem CID61097830
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine
SMILESCc1nnc(SCC(C)C)c(CN)c1C
InChIInChI=1S/C11H19N3S/c1-7(2)6-15-11-10(5-12)8(3)9(4)13-14-11/h7H,5-6,12H2,1-4H3
InChIKeyGHSNXXAUOQVQNN-UHFFFAOYSA-N
XLogP2.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine (CID 61097830) is [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine is Cc1nnc(SCC(C)C)c(CN)c1C.
What is the InChIKey of [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine?
The InChIKey is GHSNXXAUOQVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(2)6-15-11-10(5-12)8(3)9(4)13-14-11/h7H,5-6,12H2,1-4H3.
What are the key properties of [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine?
[5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 61097830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).