[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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Related Compounds

[5,6-dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine
CID 61097830
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
CID 115490313
(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
CID 61097427
[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097023
3,6-dichloro-5-(3-methoxypropylsulfanyl)-1,2,4-triazine
CID 81036593
[5,6-dimethyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 61095837
3-chloro-6-(2-methoxyethylsulfanyl)-4,5-dimethylpyridazine
CID 63272578
[6-(3-methoxypropylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63855809
[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 63756674
2-ethyl-6-(3-methoxypropylsulfanyl)-N,5-dimethylpyrimidin-4-amine
CID 80994572
(5,6-dimethyl-3-naphthalen-2-ylsulfanylpyridazin-4-yl)methanamine
CID 61096036

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).