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

C17H14N6O2S — CID 7524262

IUPACN-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)22-14-6-2-4-12(10-14)15-7-8-16-19-20-17(23(16)21-15)13-5-3-9-18-11-13/h2-11,22H,1H3
InChIKeyPOFHWRQFAOZSHT-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.22
Rot. Bonds4

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

N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide (PubChem CID 7524262) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide
PubChem CID7524262
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC NameN-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)22-14-6-2-4-12(10-14)15-7-8-16-19-20-17(23(16)21-15)13-5-3-9-18-11-13/h2-11,22H,1H3
InChIKeyPOFHWRQFAOZSHT-UHFFFAOYSA-N
XLogP2.22
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]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-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide (CID 7524262) is N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1.
What is the InChIKey of N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide?
The InChIKey is POFHWRQFAOZSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-26(24,25)22-14-6-2-4-12(10-14)15-7-8-16-19-20-17(23(16)21-15)13-5-3-9-18-11-13/h2-11,22H,1H3.
What are the key properties of N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide?
N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 7524262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).