3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine

C10H15N3OS — CID 117106065

IUPAC3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
SMILESCOc1nnc(CC2CCCS2)cc1N
InChIInChI=1S/C10H15N3OS/c1-14-10-9(11)6-7(12-13-10)5-8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H2,11,12)
InChIKeyNOKAOWVUPVSIJI-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.51
Rot. Bonds3

About 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine

3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine (PubChem CID 117106065) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine.

Molecular Properties

Compound Name3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
PubChem CID117106065
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine
SMILESCOc1nnc(CC2CCCS2)cc1N
InChIInChI=1S/C10H15N3OS/c1-14-10-9(11)6-7(12-13-10)5-8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H2,11,12)
InChIKeyNOKAOWVUPVSIJI-UHFFFAOYSA-N
XLogP1.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-6-(thian-3-ylmethyl)pyridazin-4-amine
CID 117106344
3-chloro-6-(thian-2-ylmethyl)pyridazin-4-amine
CID 117106123
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
4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105520
[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 115094147
3-amino-4-(thiolan-2-ylmethyl)phenol
CID 105463437
6-(thian-3-ylmethyl)pyridazine-3,4-diamine
CID 117106261
1-[1-methyl-3-(thiolan-2-ylmethyl)pyrazol-5-yl]ethanone
CID 115092703
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145458

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine?
The IUPAC name of 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine (CID 117106065) is 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine.
What is the SMILES notation for 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine?
The canonical SMILES for 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine is COc1nnc(CC2CCCS2)cc1N.
What is the InChIKey of 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine?
The InChIKey is NOKAOWVUPVSIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-10-9(11)6-7(12-13-10)5-8-3-2-4-15-8/h6,8H,2-5H2,1H3,(H2,11,12).
What are the key properties of 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine?
3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine has a molecular weight of 225.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(thiolan-2-ylmethyl)pyridazin-4-amine is sourced from PubChem (CID 117106065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).