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

C18H15N7O2 — CID 121036797

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

1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 121036797) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide
• PubChem CID: 121036797
• Molecular Formula: C18H15N7O2
• Molecular Weight: 361.37 g/mol
• Exact Mass: 361.13
• IUPAC Name: 1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide
• SMILES: Cc1nnc2ccc(-c3ccc(NC(=O)c4ccc(=O)n(C)n4)cc3)nn12
• InChI: InChI=1S/C18H15N7O2/c1-11-20-21-16-9-7-14(23-25(11)16)12-3-5-13(6-4-12)19-18(27)15-8-10-17(26)24(2)22-15/h3-10H,1-2H3,(H,19,27)
• InChIKey: NHXLFLJVPFEQQD-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 107.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.37
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide (CID 121036797) is 1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide.

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

The canonical SMILES for 1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide is Cc1nnc2ccc(-c3ccc(NC(=O)c4ccc(=O)n(C)n4)cc3)nn12.

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

The InChIKey is NHXLFLJVPFEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-11-20-21-16-9-7-14(23-25(11)16)12-3-5-13(6-4-12)19-18(27)15-8-10-17(26)24(2)22-15/h3-10H,1-2H3,(H,19,27).

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

1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121036797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).