1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C20H23N7O — CID 176505780

About 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 176505780) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 176505780
• Molecular Formula: C20H23N7O
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.20
• IUPAC Name: 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
• SMILES: O=C(NCc1ccccn1)C1CCN(c2cc(C3CC3)nn3cnnc23)CC1
• InChI: InChI=1S/C20H23N7O/c28-20(22-12-16-3-1-2-8-21-16)15-6-9-26(10-7-15)18-11-17(14-4-5-14)25-27-13-23-24-19(18)27/h1-3,8,11,13-15H,4-7,9-10,12H2,(H,22,28)
• InChIKey: PZVACRIUPCMYMP-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

The IUPAC name of 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 176505780) is 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

The canonical SMILES for 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(c2cc(C3CC3)nn3cnnc23)CC1.

What is the InChIKey of 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

The InChIKey is PZVACRIUPCMYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-20(22-12-16-3-1-2-8-21-16)15-6-9-26(10-7-15)18-11-17(14-4-5-14)25-27-13-23-24-19(18)27/h1-3,8,11,13-15H,4-7,9-10,12H2,(H,22,28).

What are the key properties of 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?

1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 176505780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).