N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide

C21H15N7O2S — CID 16873759

IUPACN-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccnc1
InChIInChI=1S/C21H15N7O2S/c29-31(30,18-5-2-10-23-14-18)27-17-4-1-3-16(13-17)19-6-7-20-24-25-21(28(20)26-19)15-8-11-22-12-9-15/h1-14,27H
InChIKeyGMVNSCHWEIMUPH-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.05
Rot. Bonds5

About N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide

N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 16873759) has the molecular formula C21H15N7O2S and a molecular weight of 429.47 g/mol. Its IUPAC name is N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
PubChem CID16873759
Molecular FormulaC21H15N7O2S
Molecular Weight429.47 g/mol
Exact Mass429.10
IUPAC NameN-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccnc1
InChIInChI=1S/C21H15N7O2S/c29-31(30,18-5-2-10-23-14-18)27-17-4-1-3-16(13-17)19-6-7-20-24-25-21(28(20)26-19)15-8-11-22-12-9-15/h1-14,27H
InChIKeyGMVNSCHWEIMUPH-UHFFFAOYSA-N
XLogP3.05
TPSA115.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
CID 16873567
3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873782
3-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821350
3-chloro-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873794
3,4-dichloro-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829415
N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide
CID 7524262
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 7524258
2,4,5-trimethyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873736
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16873751
4-ethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873747
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16829407
N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
CID 7524263

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide (CID 16873759) is N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccnc1.
What is the InChIKey of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide?
The InChIKey is GMVNSCHWEIMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7O2S/c29-31(30,18-5-2-10-23-14-18)27-17-4-1-3-16(13-17)19-6-7-20-24-25-21(28(20)26-19)15-8-11-22-12-9-15/h1-14,27H.
What are the key properties of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide?
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 429.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 16873759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).