3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine

C11H17N3OS — CID 117106344

IUPAC3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine
SMILESCOc1nnc(CC2CCCSC2)cc1N
InChIInChI=1S/C11H17N3OS/c1-15-11-10(12)6-9(13-14-11)5-8-3-2-4-16-7-8/h6,8H,2-5,7H2,1H3,(H2,12,13)
InChIKeyLLSDQRZZSGWWCW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.75
Rot. Bonds3

About 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine

3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine (PubChem CID 117106344) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine
PubChem CID117106344
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine
SMILESCOc1nnc(CC2CCCSC2)cc1N
InChIInChI=1S/C11H17N3OS/c1-15-11-10(12)6-9(13-14-11)5-8-3-2-4-16-7-8/h6,8H,2-5,7H2,1H3,(H2,12,13)
InChIKeyLLSDQRZZSGWWCW-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(thian-3-ylmethyl)pyridazine-3,4-diamine
CID 117106261
3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
CID 117106065
4-bromo-6-(thian-3-ylmethyl)pyridazin-3-amine
CID 117106269
4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105520
3-methoxy-6-[(1-propan-2-ylpyrrolidin-2-yl)methyl]pyridazin-4-amine
CID 117106079
2-(5-amino-6-methoxypyridazin-3-yl)ethanol
CID 117104987
6-cyclobutyl-3-methoxypyridazin-4-amine
CID 117127031
5-bromo-3-(thian-3-ylmethyl)-1H-pyridazin-6-one
CID 117106270
3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105517
7-bromo-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144306
6-methyl-2-(thian-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154248
3-methoxy-6-piperidin-3-ylpyridazin-4-amine
CID 117105660

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine?
The IUPAC name of 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine (CID 117106344) is 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine.
What is the SMILES notation for 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine?
The canonical SMILES for 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine is COc1nnc(CC2CCCSC2)cc1N.
What is the InChIKey of 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine?
The InChIKey is LLSDQRZZSGWWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-15-11-10(12)6-9(13-14-11)5-8-3-2-4-16-7-8/h6,8H,2-5,7H2,1H3,(H2,12,13).
What are the key properties of 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine?
3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine has a molecular weight of 239.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine is sourced from PubChem (CID 117106344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).