3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride

C10H16ClN3O2S — CID 71638724

IUPAC3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)C2CCNCC2)nn1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-8-2-3-10(13-12-8)16(14,15)9-4-6-11-7-5-9;/h2-3,9,11H,4-7H2,1H3;1H
InChIKeyJJIRPZDSSKAGGZ-UHFFFAOYSA-N
MW277.78 g/mol
LogP0.73
Rot. Bonds2

About 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride

3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride (PubChem CID 71638724) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride.

Molecular Properties

Compound Name3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride
PubChem CID71638724
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride
SMILESCc1ccc(S(=O)(=O)C2CCNCC2)nn1.Cl
InChIInChI=1S/C10H15N3O2S.ClH/c1-8-2-3-10(13-12-8)16(14,15)9-4-6-11-7-5-9;/h2-3,9,11H,4-7H2,1H3;1H
InChIKeyJJIRPZDSSKAGGZ-UHFFFAOYSA-N
XLogP0.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride?
The IUPAC name of 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride (CID 71638724) is 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride.
What is the SMILES notation for 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride?
The canonical SMILES for 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride is Cc1ccc(S(=O)(=O)C2CCNCC2)nn1.Cl.
What is the InChIKey of 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride?
The InChIKey is JJIRPZDSSKAGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S.ClH/c1-8-2-3-10(13-12-8)16(14,15)9-4-6-11-7-5-9;/h2-3,9,11H,4-7H2,1H3;1H.
What are the key properties of 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride?
3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride has a molecular weight of 277.78 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-4-ylsulfonylpyridazine;hydrochloride is sourced from PubChem (CID 71638724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).