3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H24N8O2S — CID 126911938

About 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126911938) has the molecular formula C17H24N8O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• PubChem CID: 126911938
• Molecular Formula: C17H24N8O2S
• Molecular Weight: 404.50 g/mol
• Exact Mass: 404.17
• IUPAC Name: 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• SMILES: Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nnc3ccc(N(C)C)nn23)CC1
• InChI: InChI=1S/C17H24N8O2S/c1-11-16(12(2)19-18-11)28(26,27)24-9-7-13(8-10-24)17-21-20-14-5-6-15(23(3)4)22-25(14)17/h5-6,13H,7-10H2,1-4H3,(H,18,19)
• InChIKey: NKROGAOKMRSHGV-UHFFFAOYSA-N
• XLogP: 1.10
• TPSA: 112.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.50
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The IUPAC name of 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126911938) is 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

What is the SMILES notation for 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The canonical SMILES for 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2nnc3ccc(N(C)C)nn23)CC1.

What is the InChIKey of 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The InChIKey is NKROGAOKMRSHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O2S/c1-11-16(12(2)19-18-11)28(26,27)24-9-7-13(8-10-24)17-21-20-14-5-6-15(23(3)4)22-25(14)17/h5-6,13H,7-10H2,1-4H3,(H,18,19).

What are the key properties of 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 404.50 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126911938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).