N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

C19H26N6O — CID 134802513

About N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 134802513) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
• PubChem CID: 134802513
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
• SMILES: O=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCCC1
• InChI: InChI=1S/C19H26N6O/c26-19(14-4-2-1-3-5-14)20-15-10-11-24(12-15)17-9-8-16-21-22-18(13-6-7-13)25(16)23-17/h8-9,13-15H,1-7,10-12H2,(H,20,26)
• InChIKey: SPVYCVQNZJQPOG-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?

The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (CID 134802513) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.

What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?

The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is O=C(NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1)C1CCCCC1.

What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?

The InChIKey is SPVYCVQNZJQPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(14-4-2-1-3-5-14)20-15-10-11-24(12-15)17-9-8-16-21-22-18(13-6-7-13)25(16)23-17/h8-9,13-15H,1-7,10-12H2,(H,20,26).

What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 134802513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).