N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide

C9H15N5O2S — CID 90997859

IUPACN-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccnnc1C1CNCCN1
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)14-7-2-3-12-13-9(7)8-6-10-4-5-11-8/h2-3,8,10-11H,4-6H2,1H3,(H,12,14)
InChIKeyPPENQUQVGBINSO-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.92
Rot. Bonds3

About N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide

N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide (PubChem CID 90997859) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide
PubChem CID90997859
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC NameN-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccnnc1C1CNCCN1
InChIInChI=1S/C9H15N5O2S/c1-17(15,16)14-7-2-3-12-13-9(7)8-6-10-4-5-11-8/h2-3,8,10-11H,4-6H2,1H3,(H,12,14)
InChIKeyPPENQUQVGBINSO-UHFFFAOYSA-N
XLogP-0.92
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide?
The IUPAC name of N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide (CID 90997859) is N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide.
What is the SMILES notation for N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide?
The canonical SMILES for N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide is CS(=O)(=O)Nc1ccnnc1C1CNCCN1.
What is the InChIKey of N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide?
The InChIKey is PPENQUQVGBINSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-17(15,16)14-7-2-3-12-13-9(7)8-6-10-4-5-11-8/h2-3,8,10-11H,4-6H2,1H3,(H,12,14).
What are the key properties of N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide?
N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide has a molecular weight of 257.32 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-2-ylpyridazin-4-yl)methanesulfonamide is sourced from PubChem (CID 90997859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).