6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C19H25N7 — CID 126911074

About 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911074) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 126911074
• Molecular Formula: C19H25N7
• Molecular Weight: 351.46 g/mol
• Exact Mass: 351.22
• IUPAC Name: 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: Cn1nccc1CCN1CCC(c2nnc3ccc(C4CC4)nn23)CC1
• InChI: InChI=1S/C19H25N7/c1-24-16(6-10-20-24)9-13-25-11-7-15(8-12-25)19-22-21-18-5-4-17(14-2-3-14)23-26(18)19/h4-6,10,14-15H,2-3,7-9,11-13H2,1H3
• InChIKey: BDKFKTZONOVXPK-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 64.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.46
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911074) is 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cn1nccc1CCN1CCC(c2nnc3ccc(C4CC4)nn23)CC1.

What is the InChIKey of 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is BDKFKTZONOVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-24-16(6-10-20-24)9-13-25-11-7-15(8-12-25)19-22-21-18-5-4-17(14-2-3-14)23-26(18)19/h4-6,10,14-15H,2-3,7-9,11-13H2,1H3.

What are the key properties of 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?

6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 351.46 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).