5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine

C26H26Cl2F4N4 — CID 10168034

About 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine

5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine (PubChem CID 10168034) has the molecular formula C26H26Cl2F4N4 and a molecular weight of 541.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine
• PubChem CID: 10168034
• Molecular Formula: C26H26Cl2F4N4
• Molecular Weight: 541.42 g/mol
• Exact Mass: 540.15
• IUPAC Name: 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine
• SMILES: CCCN(c1nc(C2CC2)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1)C(CC1CC1)c1ccc(F)cc1
• InChI: InChI=1S/C26H26Cl2F4N4/c1-2-11-35(22(12-15-3-4-15)16-7-9-19(29)10-8-16)25-33-24(17-5-6-17)36(34-25)23-20(27)13-18(14-21(23)28)26(30,31)32/h7-10,13-15,17,22H,2-6,11-12H2,1H3
• InChIKey: FWNXXGDHKNXGFT-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.42
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine?

The IUPAC name of 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine (CID 10168034) is 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine.

What is the SMILES notation for 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine?

The canonical SMILES for 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine is CCCN(c1nc(C2CC2)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1)C(CC1CC1)c1ccc(F)cc1.

What is the InChIKey of 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine?

The InChIKey is FWNXXGDHKNXGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2F4N4/c1-2-11-35(22(12-15-3-4-15)16-7-9-19(29)10-8-16)25-33-24(17-5-6-17)36(34-25)23-20(27)13-18(14-21(23)28)26(30,31)32/h7-10,13-15,17,22H,2-6,11-12H2,1H3.

What are the key properties of 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine?

5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine has a molecular weight of 541.42 g/mol, XLogP of 8.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-N-propyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 10168034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).