acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene

C27H31F4N3O2 — CID 144811150

About acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene

acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene (PubChem CID 144811150) has the molecular formula C27H31F4N3O2 and a molecular weight of 505.56 g/mol. Its IUPAC name is acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene.

Molecular Properties

• Compound Name: acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene
• PubChem CID: 144811150
• Molecular Formula: C27H31F4N3O2
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.24
• IUPAC Name: acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene
• SMILES: C#C.COC1CCC(Oc2ccn3c(C4CC4(C)C)nnc3c2C(F)(F)F)CC1.Fc1ccccc1
• InChI: InChI=1S/C19H24F3N3O2.C6H5F.C2H2/c1-18(2)10-13(18)16-23-24-17-15(19(20,21)22)14(8-9-25(16)17)27-12-6-4-11(26-3)5-7-12;7-6-4-2-1-3-5-6;1-2/h8-9,11-13H,4-7,10H2,1-3H3;1-5H;1-2H
• InChIKey: SNFDSMMNYOTKTR-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 48.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene?

The IUPAC name of acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene (CID 144811150) is acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene.

What is the SMILES notation for acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene?

The canonical SMILES for acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene is C#C.COC1CCC(Oc2ccn3c(C4CC4(C)C)nnc3c2C(F)(F)F)CC1.Fc1ccccc1.

What is the InChIKey of acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene?

The InChIKey is SNFDSMMNYOTKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2.C6H5F.C2H2/c1-18(2)10-13(18)16-23-24-17-15(19(20,21)22)14(8-9-25(16)17)27-12-6-4-11(26-3)5-7-12;7-6-4-2-1-3-5-6;1-2/h8-9,11-13H,4-7,10H2,1-3H3;1-5H;1-2H.

What are the key properties of acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene?

acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene has a molecular weight of 505.56 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;3-(2,2-dimethylcyclopropyl)-7-(4-methoxycyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;fluorobenzene is sourced from PubChem (CID 144811150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).