4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol

C15H11F3N4O — CID 135429530

IUPAC4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCc1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1
InChIInChI=1S/C15H11F3N4O/c1-8-2-3-12(23)9(6-8)13-20-14(22-21-13)10-7-19-5-4-11(10)15(16,17)18/h2-7,23H,1H3,(H,20,21,22)
InChIKeyFTWFRMPJSQBREA-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.57
Rot. Bonds2

About 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol

4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 135429530) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID135429530
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCc1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1
InChIInChI=1S/C15H11F3N4O/c1-8-2-3-12(23)9(6-8)13-20-14(22-21-13)10-7-19-5-4-11(10)15(16,17)18/h2-7,23H,1H3,(H,20,21,22)
InChIKeyFTWFRMPJSQBREA-UHFFFAOYSA-N
XLogP3.57
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenol, 2,6-dimethyl-4-[[5-(4-pyridinyl)-1H-1,2,3,4-tetrazol-1-yl]methyl]-
CID 1503698
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189
2-hydroxy-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 135960819
Phenol, 2,6-dimethyl-4-((5-(3-pyridinyl)-2H-tetrazol-2-yl)methyl)-
CID 1503699
5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807238
3-[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
CID 20285802
4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenol
CID 145966703
3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
CID 15957235
3-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
CID 15957285
4-fluoro-2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429485
4-fluoro-2-[3-(1-isoquinolyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429497

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (CID 135429530) is 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is Cc1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1.
What is the InChIKey of 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is FTWFRMPJSQBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-8-2-3-12(23)9(6-8)13-20-14(22-21-13)10-7-19-5-4-11(10)15(16,17)18/h2-7,23H,1H3,(H,20,21,22).
What are the key properties of 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 320.27 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 135429530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).