6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C20H14F3N7O2 — CID 37055018

About 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 37055018) has the molecular formula C20H14F3N7O2 and a molecular weight of 441.37 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
• PubChem CID: 37055018
• Molecular Formula: C20H14F3N7O2
• Molecular Weight: 441.37 g/mol
• Exact Mass: 441.12
• IUPAC Name: 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
• SMILES: Cc1cc(=O)c(C(=O)Nc2ccc(-n3cncn3)nc2)nn1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C20H14F3N7O2/c1-12-7-16(31)18(28-30(12)15-4-2-3-13(8-15)20(21,22)23)19(32)27-14-5-6-17(25-9-14)29-11-24-10-26-29/h2-11H,1H3,(H,27,32)
• InChIKey: SFBWFWDFELVXOZ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 107.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.37
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

The IUPAC name of 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 37055018) is 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

The canonical SMILES for 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(-n3cncn3)nc2)nn1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

The InChIKey is SFBWFWDFELVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N7O2/c1-12-7-16(31)18(28-30(12)15-4-2-3-13(8-15)20(21,22)23)19(32)27-14-5-6-17(25-9-14)29-11-24-10-26-29/h2-11H,1H3,(H,27,32).

What are the key properties of 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?

6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 441.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 37055018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).