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

C14H9F3N4O — CID 135429532

IUPAC2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-5-6-18-7-9(10)13-19-12(20-21-13)8-3-1-2-4-11(8)22/h1-7,22H,(H,19,20,21)
InChIKeyZPDNLBKDQOLNDV-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.26
Rot. Bonds2

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

2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 135429532) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID135429532
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)10-5-6-18-7-9(10)13-19-12(20-21-13)8-3-1-2-4-11(8)22/h1-7,22H,(H,19,20,21)
InChIKeyZPDNLBKDQOLNDV-UHFFFAOYSA-N
XLogP3.26
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452192
2-hydroxy-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 135960819
2-{4-amino-6-[(E)-2-pyridin-3-ylvinyl]-1,3,5-triazin-2-yl}phenol
CID 5293992
2-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridin-3-ol
CID 136085432
5-fluoro-2-[[[3-(1H-pyrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807237
5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807238
5-Fluoro-2-[[[3-(1,2,4-triazin-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807258
3-[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]pyridine
CID 20285802
Phenol, 2-(4-phenyl-5-(4-pyridinylamino)-4H-1,2,4-triazol-3-yl)-
CID 3068023
Phenol, 2-(4-phenyl-5-(2-pyridinylamino)-4H-1,2,4-triazol-3-yl)-
CID 3068024

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (CID 135429532) is 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is Oc1ccccc1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1.
What is the InChIKey of 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is ZPDNLBKDQOLNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)10-5-6-18-7-9(10)13-19-12(20-21-13)8-3-1-2-4-11(8)22/h1-7,22H,(H,19,20,21).
What are the key properties of 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 306.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 135429532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).