3-[(1-ethylpiperidin-3-yl)methyl]pyridazine

C12H19N3 — CID 117106303

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]pyridazine
SMILESCCN1CCCC(Cc2cccnn2)C1
InChIInChI=1S/C12H19N3/c1-2-15-8-4-5-11(10-15)9-12-6-3-7-13-14-12/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeySRQNKZCYANZJCL-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.75
Rot. Bonds3

About 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine

3-[(1-ethylpiperidin-3-yl)methyl]pyridazine (PubChem CID 117106303) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]pyridazine
PubChem CID117106303
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]pyridazine
SMILESCCN1CCCC(Cc2cccnn2)C1
InChIInChI=1S/C12H19N3/c1-2-15-8-4-5-11(10-15)9-12-6-3-7-13-14-12/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeySRQNKZCYANZJCL-UHFFFAOYSA-N
XLogP1.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpiperidin-3-yl)methyl]pyridazine
CID 117106273
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132335
2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117132331
[3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145787
2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 117130121
3-(2-piperidin-1-ylethyl)pyridazine
CID 154363673
[1-(pyridazin-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 106897852
3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142712
2-methyl-6-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 124952443
[3-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145785

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine (CID 117106303) is 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine is CCN1CCCC(Cc2cccnn2)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine?
The InChIKey is SRQNKZCYANZJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-8-4-5-11(10-15)9-12-6-3-7-13-14-12/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine?
3-[(1-ethylpiperidin-3-yl)methyl]pyridazine has a molecular weight of 205.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]pyridazine is sourced from PubChem (CID 117106303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).