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

C24H25Cl3F4N4 — CID 10280871

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

N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride (PubChem CID 10280871) has the molecular formula C24H25Cl3F4N4 and a molecular weight of 551.84 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride
• PubChem CID: 10280871
• Molecular Formula: C24H25Cl3F4N4
• Molecular Weight: 551.84 g/mol
• Exact Mass: 550.11
• IUPAC Name: N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride
• SMILES: CCCN(c1nc(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1)C(CC1CC1)c1ccc(F)cc1.Cl
• InChI: InChI=1S/C24H24Cl2F4N4.ClH/c1-3-10-33(21(11-15-4-5-15)16-6-8-18(27)9-7-16)23-31-14(2)34(32-23)22-19(25)12-17(13-20(22)26)24(28,29)30;/h6-9,12-13,15,21H,3-5,10-11H2,1-2H3;1H
• InChIKey: FXJFOIYJZQPVHA-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.84
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride (CID 10280871) is N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride.

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

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

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

The InChIKey is FXJFOIYJZQPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2F4N4.ClH/c1-3-10-33(21(11-15-4-5-15)16-6-8-18(27)9-7-16)23-31-14(2)34(32-23)22-19(25)12-17(13-20(22)26)24(28,29)30;/h6-9,12-13,15,21H,3-5,10-11H2,1-2H3;1H.

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

N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride has a molecular weight of 551.84 g/mol, XLogP of 8.22, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclopropyl-1-(4-fluorophenyl)ethyl]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-N-propyl-1,2,4-triazol-3-amine;hydrochloride is sourced from PubChem (CID 10280871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).