2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol

C19H19F3N4O — CID 135372036

IUPAC2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol
SMILESCC(CO)c1nc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C19H19F3N4O/c1-12(11-27)18-24-17(25-26(18)2)15-5-3-4-6-16(15)23-14-9-7-13(8-10-14)19(20,21)22/h3-10,12,23,27H,11H2,1-2H3
InChIKeyMQXMHNOCALMDLA-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol

2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol (PubChem CID 135372036) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol
PubChem CID135372036
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol
SMILESCC(CO)c1nc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C19H19F3N4O/c1-12(11-27)18-24-17(25-26(18)2)15-5-3-4-6-16(15)23-14-9-7-13(8-10-14)19(20,21)22/h3-10,12,23,27H,11H2,1-2H3
InChIKeyMQXMHNOCALMDLA-UHFFFAOYSA-N
XLogP4.34
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-butyl-1H-1,2,4-triazol-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455298
3-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 135372120
(2S,3R)-3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]butan-2-ol
CID 135372207
(2R,3S)-3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]butan-2-ol
CID 135372263
1-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]butan-2-ol
CID 135372420
2-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372551
3-Amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 142467962
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 146402527
3-Methyl-1-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]butan-2-ol
CID 146402535
2-[2-Methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol
CID 142468169
4-dimethylphosphoryl-2-(1-methyl-1,2,4-triazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 178423137
1-(3-Fluoro-4-methylanilino)-3-(5-phenyltetrazol-1-yl)propan-2-ol
CID 22432072

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
The IUPAC name of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol (CID 135372036) is 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol.
What is the SMILES notation for 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
The canonical SMILES for 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol is CC(CO)c1nc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nn1C.
What is the InChIKey of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
The InChIKey is MQXMHNOCALMDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c1-12(11-27)18-24-17(25-26(18)2)15-5-3-4-6-16(15)23-14-9-7-13(8-10-14)19(20,21)22/h3-10,12,23,27H,11H2,1-2H3.
What are the key properties of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol?
2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol has a molecular weight of 376.38 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]propan-1-ol is sourced from PubChem (CID 135372036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).