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

C14H18N6O — CID 134803808

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide (PubChem CID 134803808) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
• PubChem CID: 134803808
• Molecular Formula: C14H18N6O
• Molecular Weight: 286.34 g/mol
• Exact Mass: 286.15
• IUPAC Name: N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)NC1CCN(c2ccc3nnc(C4CC4)n3n2)C1
• InChI: InChI=1S/C14H18N6O/c1-9(21)15-11-6-7-19(8-11)13-5-4-12-16-17-14(10-2-3-10)20(12)18-13/h4-5,10-11H,2-3,6-8H2,1H3,(H,15,21)
• InChIKey: QGZIJQDNCWWZMV-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.34
LogP ≤ 5	0.72
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]acetamide?

The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide (CID 134803808) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide.

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

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

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

The InChIKey is QGZIJQDNCWWZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-9(21)15-11-6-7-19(8-11)13-5-4-12-16-17-14(10-2-3-10)20(12)18-13/h4-5,10-11H,2-3,6-8H2,1H3,(H,15,21).

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 0.72, 3 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]acetamide is sourced from PubChem (CID 134803808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).