N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H19F3N6O — CID 95590480

About N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 95590480) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

• Compound Name: N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• PubChem CID: 95590480
• Molecular Formula: C14H19F3N6O
• Molecular Weight: 344.34 g/mol
• Exact Mass: 344.16
• IUPAC Name: N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
• SMILES: COCCN1CC[C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)C1
• InChI: InChI=1S/C14H19F3N6O/c1-24-7-6-22-5-4-10(9-22)8-18-11-2-3-12-19-20-13(14(15,16)17)23(12)21-11/h2-3,10H,4-9H2,1H3,(H,18,21)/t10-/m1/s1
• InChIKey: YWEZYJOIQHEALG-SNVBAGLBSA-N
• XLogP: 1.52
• TPSA: 67.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.34
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The IUPAC name of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 95590480) is N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

What is the SMILES notation for N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The canonical SMILES for N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COCCN1CC[C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)C1.

What is the InChIKey of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

The InChIKey is YWEZYJOIQHEALG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-24-7-6-22-5-4-10(9-22)8-18-11-2-3-12-19-20-13(14(15,16)17)23(12)21-11/h2-3,10H,4-9H2,1H3,(H,18,21)/t10-/m1/s1.

What are the key properties of N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?

N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 344.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 95590480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).