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

C15H11F3N4O2 — CID 135429525

IUPAC4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCOc1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1
InChIInChI=1S/C15H11F3N4O2/c1-24-8-2-3-12(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)
InChIKeyKGDRPRXWIQQLFM-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.27
Rot. Bonds3

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

4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 135429525) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID135429525
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCOc1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1
InChIInChI=1S/C15H11F3N4O2/c1-24-8-2-3-12(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)
InChIKeyKGDRPRXWIQQLFM-UHFFFAOYSA-N
XLogP3.27
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-methoxy-2-[(E)-(2-pyridylhydrazono)methyl]phenol
CID 135509058
3-[5-[[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 134804177
2-[3-(3-Methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyrazine
CID 10422379
3-[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
CID 20285802
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 15957196
3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
CID 15957235
2-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-pyridine
CID 15957264
3-[5-(2-fluoro-5-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
CID 15957285
2-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 15957323
2-[5-(2-Fluoro-5-methoxy-phenyl)-1H-[1,2,4]triazol-3-yl]-5-trifluoromethyl-pyridine
CID 15957324

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (CID 135429525) is 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is COc1ccc(O)c(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c1.
What is the InChIKey of 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is KGDRPRXWIQQLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-24-8-2-3-12(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-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 336.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 135429525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).