3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine

C13H20N4 — CID 63257105

IUPAC3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
SMILESc1cnnc(N2CCC(C3CCCN3)CC2)c1
InChIInChI=1S/C13H20N4/c1-3-12(14-7-1)11-5-9-17(10-6-11)13-4-2-8-15-16-13/h2,4,8,11-12,14H,1,3,5-7,9-10H2
InChIKeyQSQKZWFBQWMSSM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds2

About 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine

3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine (PubChem CID 63257105) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
PubChem CID63257105
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
SMILESc1cnnc(N2CCC(C3CCCN3)CC2)c1
InChIInChI=1S/C13H20N4/c1-3-12(14-7-1)11-5-9-17(10-6-11)13-4-2-8-15-16-13/h2,4,8,11-12,14H,1,3,5-7,9-10H2
InChIKeyQSQKZWFBQWMSSM-UHFFFAOYSA-N
XLogP1.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 62484087
3-methyl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257237
3-chloro-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257582
2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 55167443
4-methyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine
CID 63257496
3-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204667
1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873688
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
2-phenyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 167788420
4-methyl-2-propan-2-yl-6-(4-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine
CID 63257362
3-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,2,4-benzotriazine
CID 103204630

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine (CID 63257105) is 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine is c1cnnc(N2CCC(C3CCCN3)CC2)c1.
What is the InChIKey of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine?
The InChIKey is QSQKZWFBQWMSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-12(14-7-1)11-5-9-17(10-6-11)13-4-2-8-15-16-13/h2,4,8,11-12,14H,1,3,5-7,9-10H2.
What are the key properties of 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine?
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine has a molecular weight of 232.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 63257105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).