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

C23H18N8O2 — CID 121036434

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)n1
InChIInChI=1S/C23H18N8O2/c1-15-5-8-22(33)30(28-15)14-21(32)25-18-4-2-3-17(13-18)19-6-7-20-26-27-23(31(20)29-19)16-9-11-24-12-10-16/h2-13H,14H2,1H3,(H,25,32)
InChIKeyFWRJLGNERJPWOC-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.36
Rot. Bonds5

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

2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (PubChem CID 121036434) has the molecular formula C23H18N8O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
PubChem CID121036434
Molecular FormulaC23H18N8O2
Molecular Weight438.45 g/mol
Exact Mass438.16
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
SMILESCc1ccc(=O)n(CC(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)n1
InChIInChI=1S/C23H18N8O2/c1-15-5-8-22(33)30(28-15)14-21(32)25-18-4-2-3-17(13-18)19-6-7-20-26-27-23(31(20)29-19)16-9-11-24-12-10-16/h2-13H,14H2,1H3,(H,25,32)
InChIKeyFWRJLGNERJPWOC-UHFFFAOYSA-N
XLogP2.36
TPSA119.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532699
2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036965
2-phenoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16873269
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036846
2-(1H-indol-3-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036451
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 7524258
4-bromo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873318
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873265
2-methylsulfanyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036442
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036477

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide (CID 121036434) is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is Cc1ccc(=O)n(CC(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)n1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
The InChIKey is FWRJLGNERJPWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O2/c1-15-5-8-22(33)30(28-15)14-21(32)25-18-4-2-3-17(13-18)19-6-7-20-26-27-23(31(20)29-19)16-9-11-24-12-10-16/h2-13H,14H2,1H3,(H,25,32).
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide has a molecular weight of 438.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide is sourced from PubChem (CID 121036434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).