5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine

C24H29F3N4O — CID 11442212

IUPAC5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine
SMILESCCCN(c1nc(-c2ccc(OC)cc2C)n(C)n1)C(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H29F3N4O/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3/h8-13,15,21H,6-7,14H2,1-5H3
InChIKeyUURGHNMLHGJHLO-UHFFFAOYSA-N
MW446.52 g/mol
LogP6.19
Rot. Bonds8

About 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine

5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine (PubChem CID 11442212) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine
PubChem CID11442212
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine
SMILESCCCN(c1nc(-c2ccc(OC)cc2C)n(C)n1)C(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H29F3N4O/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3/h8-13,15,21H,6-7,14H2,1-5H3
InChIKeyUURGHNMLHGJHLO-UHFFFAOYSA-N
XLogP6.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine with MolForge

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Related Compounds

3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole
CID 24941247
3-(1-Methoxynaphthalen-2-yl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11199934
L 10503
CID 100434
4-Methyl-3-[2-(trifluoromethoxy)phenyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11625219
(E)-2-[[4-[5-(difluoromethyl)-1-ethyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512058
(Z)-2-[[4-[5-(difluoromethyl)-1-ethyl-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369090
5-(4-methoxyphenyl)-1-(2-phenylethyl)-1H-tetrazole
CID 892565
5-butyl-N-[(4-methoxyphenyl)methyl]-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-amine
CID 10435850
[5-(2,4-Dimethoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-[1-(4-fluoro-phenyl)-pentyl]-propyl-amine
CID 11282946
5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine;hydrochloride
CID 11431638
[5-(2,4-Dimethoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-butyl)-propyl-amine
CID 11441193
[5-(4-Methoxy-2-methyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-butyl)-propyl-amine
CID 44388393

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine (CID 11442212) is 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine is CCCN(c1nc(-c2ccc(OC)cc2C)n(C)n1)C(CC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine?
The InChIKey is UURGHNMLHGJHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3/h8-13,15,21H,6-7,14H2,1-5H3.
What are the key properties of 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine?
5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine has a molecular weight of 446.52 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methylphenyl)-1-methyl-N-propyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 11442212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).