4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide

C22H27N9O3 — CID 160526347

About 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide (PubChem CID 160526347) has the molecular formula C22H27N9O3 and a molecular weight of 465.52 g/mol. Its IUPAC name is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide
• PubChem CID: 160526347
• Molecular Formula: C22H27N9O3
• Molecular Weight: 465.52 g/mol
• Exact Mass: 465.22
• IUPAC Name: 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide
• SMILES: CCCN1CCN(c2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(C(=O)NC)nn2)C1=O
• InChI: InChI=1S/C22H27N9O3/c1-5-9-30-10-11-31(22(30)33)17-12-16(18(27-26-17)21(32)23-2)25-15-8-6-7-14(19(15)34-4)20-24-13-29(3)28-20/h6-8,12-13H,5,9-11H2,1-4H3,(H,23,32)(H,25,26)
• InChIKey: QUYDPSJEIPIJES-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 130.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.52
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide (CID 160526347) is 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide.

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

The canonical SMILES for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide is CCCN1CCN(c2cc(Nc3cccc(-c4ncn(C)n4)c3OC)c(C(=O)NC)nn2)C1=O.

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

The InChIKey is QUYDPSJEIPIJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O3/c1-5-9-30-10-11-31(22(30)33)17-12-16(18(27-26-17)21(32)23-2)25-15-8-6-7-14(19(15)34-4)20-24-13-29(3)28-20/h6-8,12-13H,5,9-11H2,1-4H3,(H,23,32)(H,25,26).

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

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 160526347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).