5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine

C19H19F3N4O — CID 167211731

IUPAC5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(NC(C)C)n(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H19F3N4O/c1-12(2)23-18-24-17(14-6-4-13(3)5-7-14)25-26(18)15-8-10-16(11-9-15)27-19(20,21)22/h4-12H,1-3H3,(H,23,24,25)
InChIKeyACVOOWXAADYSJW-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.96
Rot. Bonds5

About 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine

5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine (PubChem CID 167211731) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
PubChem CID167211731
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
SMILESCc1ccc(-c2nc(NC(C)C)n(-c3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C19H19F3N4O/c1-12(2)23-18-24-17(14-6-4-13(3)5-7-14)25-26(18)15-8-10-16(11-9-15)27-19(20,21)22/h4-12H,1-3H3,(H,23,24,25)
InChIKeyACVOOWXAADYSJW-UHFFFAOYSA-N
XLogP4.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminophenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
CID 163216385
5-(4-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
CID 155586796
5-bromo-N-pentan-3-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine
CID 155586758
[4-[5-(2-ethoxyethylamino)-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 167212236
1-[[4-[5-(ethylamino)-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylamino]-3-(2-propan-2-ylphenyl)thiourea
CID 167212215
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
CID 174025446
CID 174025446
1-[[4-[5-(cyclopropylamino)-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylamino]-3-(2-propan-2-ylphenyl)thiourea
CID 167212044
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
4-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 21025907
2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46383812
N-[5-[4-[[2-[(2-propan-2-ylphenyl)carbamothioyl]hydrazinyl]methyl]phenyl]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]cyclopropanecarboxamide
CID 167211442

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine (CID 167211731) is 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine is Cc1ccc(-c2nc(NC(C)C)n(-c3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine?
The InChIKey is ACVOOWXAADYSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-12(2)23-18-24-17(14-6-4-13(3)5-7-14)25-26(18)15-8-10-16(11-9-15)27-19(20,21)22/h4-12H,1-3H3,(H,23,24,25).
What are the key properties of 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine?
5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine has a molecular weight of 376.38 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 167211731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).