3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine

C14H17N3S — CID 20970036

IUPAC3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine
SMILESCC1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C14H17N3S/c1-11-6-8-17(9-7-11)14-5-4-12(15-16-14)13-3-2-10-18-13/h2-5,10-11H,6-9H2,1H3
InChIKeySJRMJVICGQXDIK-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.44
Rot. Bonds2

About 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine

3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine (PubChem CID 20970036) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine
PubChem CID20970036
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine
SMILESCC1CCN(c2ccc(-c3cccs3)nn2)CC1
InChIInChI=1S/C14H17N3S/c1-11-6-8-17(9-7-11)14-5-4-12(15-16-14)13-3-2-10-18-13/h2-5,10-11H,6-9H2,1H3
InChIKeySJRMJVICGQXDIK-UHFFFAOYSA-N
XLogP3.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(6-thien-2-ylpyridazin-3-yl)piperidine-4-carboxylate
CID 20947197
4-(6-Thien-2-ylpyridazin-3-yl)morpholine
CID 20970001
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine;hydrate;dihydrochloride
CID 49860485
1-(4-Methyl-1-piperidinyl)-4-(2-thienyl)phthalazine
CID 6401102
4-(6-Thiophen-3-ylpyridazin-3-yl)morpholine
CID 71528377
1-[6-(2-Thienyl)-3-pyridazinyl]-4-piperidinol
CID 13573482
1-(6-Thiophen-3-ylpyridazin-3-yl)piperidin-4-ol
CID 13573484
3-Piperazin-1-yl-6-(2-thienyl)pyridazine
CID 24252645
3-{4-[(5-Ethylthiophen-2-yl)sulfonyl]piperazin-1-yl}-6-(thiophen-2-yl)pyridazine
CID 25283852
[1-(6-Methyl-3-pyridazinyl)-4-piperidinyl](2-thienyl)methanol
CID 45249117
1-(6-methylpyridazin-3-yl)-N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 53609249
1-(6-methylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 53615098

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine (CID 20970036) is 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine is CC1CCN(c2ccc(-c3cccs3)nn2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine?
The InChIKey is SJRMJVICGQXDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-6-8-17(9-7-11)14-5-4-12(15-16-14)13-3-2-10-18-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine?
3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine has a molecular weight of 259.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 20970036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).