5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine

C14H22N4 — CID 163230108

IUPAC5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine
SMILESCN1CCC(c2cnnc(N3CCCC3)c2)CC1
InChIInChI=1S/C14H22N4/c1-17-8-4-12(5-9-17)13-10-14(16-15-11-13)18-6-2-3-7-18/h10-12H,2-9H2,1H3
InChIKeyVWEMYJURLBHJHK-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.89
Rot. Bonds2

About 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine

5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine (PubChem CID 163230108) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine
PubChem CID163230108
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine
SMILESCN1CCC(c2cnnc(N3CCCC3)c2)CC1
InChIInChI=1S/C14H22N4/c1-17-8-4-12(5-9-17)13-10-14(16-15-11-13)18-6-2-3-7-18/h10-12H,2-9H2,1H3
InChIKeyVWEMYJURLBHJHK-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine (CID 163230108) is 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine is CN1CCC(c2cnnc(N3CCCC3)c2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine?
The InChIKey is VWEMYJURLBHJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17-8-4-12(5-9-17)13-10-14(16-15-11-13)18-6-2-3-7-18/h10-12H,2-9H2,1H3.
What are the key properties of 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine?
5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine has a molecular weight of 246.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 163230108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).