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

C22H16N8O2 — CID 121036873

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

1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide (PubChem CID 121036873) has the molecular formula C22H16N8O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
• PubChem CID: 121036873
• Molecular Formula: C22H16N8O2
• Molecular Weight: 424.42 g/mol
• Exact Mass: 424.14
• IUPAC Name: 1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
• SMILES: Cn1nc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)ccc1=O
• InChI: InChI=1S/C22H16N8O2/c1-29-20(31)9-7-18(27-29)22(32)24-16-4-2-14(3-5-16)17-6-8-19-25-26-21(30(19)28-17)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,32)
• InChIKey: KRLNAGLPLDMNEG-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 119.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.42
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide (CID 121036873) is 1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide.

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

The canonical SMILES for 1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)ccc1=O.

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

The InChIKey is KRLNAGLPLDMNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8O2/c1-29-20(31)9-7-18(27-29)22(32)24-16-4-2-14(3-5-16)17-6-8-19-25-26-21(30(19)28-17)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,32).

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

1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-6-oxo-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121036873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).