1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide

C22H17N7O — CID 121036280

About 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide

1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide (PubChem CID 121036280) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
• PubChem CID: 121036280
• Molecular Formula: C22H17N7O
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.15
• IUPAC Name: 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide
• SMILES: Cn1nc(-c2ccccc2)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1
• InChI: InChI=1S/C22H17N7O/c1-28-20(13-19(26-28)15-6-3-2-4-7-15)22(30)24-17-9-5-8-16(12-17)18-10-11-21-25-23-14-29(21)27-18/h2-14H,1H3,(H,24,30)
• InChIKey: QPRBNUHXIHXQGR-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide?

The IUPAC name of 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide (CID 121036280) is 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1C(=O)Nc1cccc(-c2ccc3nncn3n2)c1.

What is the InChIKey of 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide?

The InChIKey is QPRBNUHXIHXQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-28-20(13-19(26-28)15-6-3-2-4-7-15)22(30)24-17-9-5-8-16(12-17)18-10-11-21-25-23-14-29(21)27-18/h2-14H,1H3,(H,24,30).

What are the key properties of 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide?

1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-phenyl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 121036280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).