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

C21H20N6O — CID 7532699

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

3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide (PubChem CID 7532699) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
• PubChem CID: 7532699
• Molecular Formula: C21H20N6O
• Molecular Weight: 372.43 g/mol
• Exact Mass: 372.17
• IUPAC Name: 3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
• SMILES: CC(C)CC(=O)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1
• InChI: InChI=1S/C21H20N6O/c1-14(2)12-20(28)23-17-5-3-4-16(13-17)18-6-7-19-24-25-21(27(19)26-18)15-8-10-22-11-9-15/h3-11,13-14H,12H2,1-2H3,(H,23,28)
• InChIKey: WZXMBCFYGCNBQH-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.43
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide (CID 7532699) is 3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide.

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

The canonical SMILES for 3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide is CC(C)CC(=O)Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1.

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

The InChIKey is WZXMBCFYGCNBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14(2)12-20(28)23-17-5-3-4-16(13-17)18-6-7-19-24-25-21(27(19)26-18)15-8-10-22-11-9-15/h3-11,13-14H,12H2,1-2H3,(H,23,28).

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

3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide has a molecular weight of 372.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide is sourced from PubChem (CID 7532699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).