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

C13H21N5O2S — CID 71807525

IUPAC5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine
SMILESCS(=O)(=O)N1CCN(c2cnnc(N3CCCC3)c2)CC1
InChIInChI=1S/C13H21N5O2S/c1-21(19,20)18-8-6-16(7-9-18)12-10-13(15-14-11-12)17-4-2-3-5-17/h10-11H,2-9H2,1H3
InChIKeyCUTRNQMYTXWHFE-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.16
Rot. Bonds3

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

5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine (PubChem CID 71807525) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine
PubChem CID71807525
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine
SMILESCS(=O)(=O)N1CCN(c2cnnc(N3CCCC3)c2)CC1
InChIInChI=1S/C13H21N5O2S/c1-21(19,20)18-8-6-16(7-9-18)12-10-13(15-14-11-12)17-4-2-3-5-17/h10-11H,2-9H2,1H3
InChIKeyCUTRNQMYTXWHFE-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine?
The IUPAC name of 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine (CID 71807525) is 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine is CS(=O)(=O)N1CCN(c2cnnc(N3CCCC3)c2)CC1.
What is the InChIKey of 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine?
The InChIKey is CUTRNQMYTXWHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-21(19,20)18-8-6-16(7-9-18)12-10-13(15-14-11-12)17-4-2-3-5-17/h10-11H,2-9H2,1H3.
What are the key properties of 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine?
5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine has a molecular weight of 311.41 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylpiperazin-1-yl)-3-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 71807525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).