N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide

C9H15N5O2S — CID 44721354

IUPACN-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)13-8-2-3-9(12-11-8)14-6-4-10-5-7-14/h2-3,10H,4-7H2,1H3,(H,11,13)
InChIKeyAFCGXSDAFXQRRZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.74
Rot. Bonds3

About N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide

N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide (PubChem CID 44721354) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide
PubChem CID44721354
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC NameN-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCNCC2)nn1
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)13-8-2-3-9(12-11-8)14-6-4-10-5-7-14/h2-3,10H,4-7H2,1H3,(H,11,13)
InChIKeyAFCGXSDAFXQRRZ-UHFFFAOYSA-N
XLogP-0.74
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide?
The IUPAC name of N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide (CID 44721354) is N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide?
The canonical SMILES for N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc(N2CCNCC2)nn1.
What is the InChIKey of N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide?
The InChIKey is AFCGXSDAFXQRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-17(15,16)13-8-2-3-9(12-11-8)14-6-4-10-5-7-14/h2-3,10H,4-7H2,1H3,(H,11,13).
What are the key properties of N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide?
N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide has a molecular weight of 257.32 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperazin-1-ylpyridazin-3-yl)methanesulfonamide is sourced from PubChem (CID 44721354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).