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

C18H17F3N4O — CID 142468169

IUPAC2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCn1nc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nc1CCO
InChIInChI=1S/C18H17F3N4O/c1-25-16(10-11-26)23-17(24-25)14-4-2-3-5-15(14)22-13-8-6-12(7-9-13)18(19,20)21/h2-9,22,26H,10-11H2,1H3
InChIKeySFAVCURLWVNRMU-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.78
Rot. Bonds5

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

2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol (PubChem CID 142468169) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol
PubChem CID142468169
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCn1nc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nc1CCO
InChIInChI=1S/C18H17F3N4O/c1-25-16(10-11-26)23-17(24-25)14-4-2-3-5-15(14)22-13-8-6-12(7-9-13)18(19,20)21/h2-9,22,26H,10-11H2,1H3
InChIKeySFAVCURLWVNRMU-UHFFFAOYSA-N
XLogP3.78
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.78
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
1-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-2-ol
CID 135372198
(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
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372374
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-[5-[2-[3-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 135372588
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol (CID 142468169) is 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol is Cn1nc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)nc1CCO.
What is the InChIKey of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol?
The InChIKey is SFAVCURLWVNRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-25-16(10-11-26)23-17(24-25)14-4-2-3-5-15(14)22-13-8-6-12(7-9-13)18(19,20)21/h2-9,22,26H,10-11H2,1H3.
What are the key properties of 2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol?
2-[2-methyl-5-[2-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-3-yl]ethanol has a molecular weight of 362.36 g/mol, XLogP of 3.78, 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]ethanol is sourced from PubChem (CID 142468169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).