1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide

C22H20N8O2 — CID 153449802

About 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide

1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide (PubChem CID 153449802) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
• PubChem CID: 153449802
• Molecular Formula: C22H20N8O2
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.17
• IUPAC Name: 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
• SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(=O)Nc3cccnn3)c2)n1
• InChI: InChI=1S/C22H20N8O2/c1-14(2)30-13-24-29-20(30)17-8-4-9-18(25-17)26-21(31)15-6-3-7-16(12-15)22(32)27-19-10-5-11-23-28-19/h3-14H,1-2H3,(H,25,26,31)(H,27,28,32)
• InChIKey: ORUAUSRIBZLGLA-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 127.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide?

The IUPAC name of 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide (CID 153449802) is 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide?

The canonical SMILES for 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cccc(C(=O)Nc3cccnn3)c2)n1.

What is the InChIKey of 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide?

The InChIKey is ORUAUSRIBZLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c1-14(2)30-13-24-29-20(30)17-8-4-9-18(25-17)26-21(31)15-6-3-7-16(12-15)22(32)27-19-10-5-11-23-28-19/h3-14H,1-2H3,(H,25,26,31)(H,27,28,32).

What are the key properties of 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide?

1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide has a molecular weight of 428.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 153449802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).