3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H22N10 — CID 142746604

About 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 142746604) has the molecular formula C19H22N10 and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• PubChem CID: 142746604
• Molecular Formula: C19H22N10
• Molecular Weight: 390.46 g/mol
• Exact Mass: 390.20
• IUPAC Name: 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• SMILES: CNc1ccc2nnc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)n2n1
• InChI: InChI=1S/C19H22N10/c1-21-16-2-3-17-25-26-19(29(17)27-16)15-8-12(9-23-18(15)20)13-10-24-28(11-13)14-4-6-22-7-5-14/h2-3,8-11,14,22H,4-7H2,1H3,(H2,20,23)(H,21,27)
• InChIKey: BBSGESOHSNHZTM-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 123.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.46
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The IUPAC name of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 142746604) is 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

What is the SMILES notation for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The canonical SMILES for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CNc1ccc2nnc(-c3cc(-c4cnn(C5CCNCC5)c4)cnc3N)n2n1.

What is the InChIKey of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The InChIKey is BBSGESOHSNHZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10/c1-21-16-2-3-17-25-26-19(29(17)27-16)15-8-12(9-23-18(15)20)13-10-24-28(11-13)14-4-6-22-7-5-14/h2-3,8-11,14,22H,4-7H2,1H3,(H2,20,23)(H,21,27).

What are the key properties of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 390.46 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 142746604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).