N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide

C22H16N6O — CID 7532386

About N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide (PubChem CID 7532386) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
• PubChem CID: 7532386
• Molecular Formula: C22H16N6O
• Molecular Weight: 380.41 g/mol
• Exact Mass: 380.14
• IUPAC Name: N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide
• SMILES: Cc1nnc2ccc(-c3ccc(NC(=O)c4ccc5ccccc5n4)cc3)nn12
• InChI: InChI=1S/C22H16N6O/c1-14-25-26-21-13-12-19(27-28(14)21)16-6-9-17(10-7-16)23-22(29)20-11-8-15-4-2-3-5-18(15)24-20/h2-13H,1H3,(H,23,29)
• InChIKey: KZVLCZZKAPMQKR-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.41
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?

The IUPAC name of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide (CID 7532386) is N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide.

What is the SMILES notation for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?

The canonical SMILES for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide is Cc1nnc2ccc(-c3ccc(NC(=O)c4ccc5ccccc5n4)cc3)nn12.

What is the InChIKey of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?

The InChIKey is KZVLCZZKAPMQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-14-25-26-21-13-12-19(27-28(14)21)16-6-9-17(10-7-16)23-22(29)20-11-8-15-4-2-3-5-18(15)24-20/h2-13H,1H3,(H,23,29).

What are the key properties of N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide?

N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 7532386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).