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

C22H16N6OS — CID 7532713

IUPACN-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1
InChIInChI=1S/C22H16N6OS/c29-21(13-18-7-3-11-30-18)24-17-6-1-4-15(12-17)19-8-9-20-25-26-22(28(20)27-19)16-5-2-10-23-14-16/h1-12,14H,13H2,(H,24,29)
InChIKeyLCAMQADQTSRNRU-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.10
Rot. Bonds5

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

N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 7532713) has the molecular formula C22H16N6OS and a molecular weight of 412.48 g/mol. Its IUPAC name is N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID7532713
Molecular FormulaC22H16N6OS
Molecular Weight412.48 g/mol
Exact Mass412.11
IUPAC NameN-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1
InChIInChI=1S/C22H16N6OS/c29-21(13-18-7-3-11-30-18)24-17-6-1-4-15(12-17)19-8-9-20-25-26-22(28(20)27-19)16-5-2-10-23-14-16/h1-12,14H,13H2,(H,24,29)
InChIKeyLCAMQADQTSRNRU-UHFFFAOYSA-N
XLogP4.10
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.10
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]-2-thiophen-2-ylacetamide 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]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide (CID 7532713) is N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)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]-2-thiophen-2-ylacetamide?
The InChIKey is LCAMQADQTSRNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6OS/c29-21(13-18-7-3-11-30-18)24-17-6-1-4-15(12-17)19-8-9-20-25-26-22(28(20)27-19)16-5-2-10-23-14-16/h1-12,14H,13H2,(H,24,29).
What are the key properties of N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 412.48 g/mol, XLogP of 4.10, 5 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]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 7532713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).