N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide

C23H24N10O2 — CID 154663016

About N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 154663016) has the molecular formula C23H24N10O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
• PubChem CID: 154663016
• Molecular Formula: C23H24N10O2
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.21
• IUPAC Name: N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nnc2-c2n[nH]c(C3CC3)n2)cccc1-c1ncn(C)n1
• InChI: InChI=1S/C23H24N10O2/c1-33-11-24-21(32-33)14-4-3-5-15(19(14)35-2)25-16-10-17(26-23(34)13-8-9-13)28-29-18(16)22-27-20(30-31-22)12-6-7-12/h3-5,10-13H,6-9H2,1-2H3,(H,27,30,31)(H2,25,26,28,34)
• InChIKey: NJQRWOVSOISPOD-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 148.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide (CID 154663016) is N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2-c2n[nH]c(C3CC3)n2)cccc1-c1ncn(C)n1.

What is the InChIKey of N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?

The InChIKey is NJQRWOVSOISPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10O2/c1-33-11-24-21(32-33)14-4-3-5-15(19(14)35-2)25-16-10-17(26-23(34)13-8-9-13)28-29-18(16)22-27-20(30-31-22)12-6-7-12/h3-5,10-13H,6-9H2,1-2H3,(H,27,30,31)(H2,25,26,28,34).

What are the key properties of N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?

N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 472.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154663016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).