[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine

C11H19N3OS — CID 63857401

IUPAC[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCOCCCSc1nnc(C)c(C)c1CN
InChIInChI=1S/C11H19N3OS/c1-8-9(2)13-14-11(10(8)7-12)16-6-4-5-15-3/h4-7,12H2,1-3H3
InChIKeyTZQSLKPSFMWLOC-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.68
Rot. Bonds6

About [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 63857401) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID63857401
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCOCCCSc1nnc(C)c(C)c1CN
InChIInChI=1S/C11H19N3OS/c1-8-9(2)13-14-11(10(8)7-12)16-6-4-5-15-3/h4-7,12H2,1-3H3
InChIKeyTZQSLKPSFMWLOC-UHFFFAOYSA-N
XLogP1.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine (CID 63857401) is [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine is COCCCSc1nnc(C)c(C)c1CN.
What is the InChIKey of [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is TZQSLKPSFMWLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-9(2)13-14-11(10(8)7-12)16-6-4-5-15-3/h4-7,12H2,1-3H3.
What are the key properties of [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 241.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 63857401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).