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

C11H10F3N3O — CID 137025263

IUPAC2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol
SMILESCc1cc(-c2nc(C(F)(F)F)nn2C)ccc1O
InChIInChI=1S/C11H10F3N3O/c1-6-5-7(3-4-8(6)18)9-15-10(11(12,13)14)16-17(9)2/h3-5,18H,1-2H3
InChIKeyAIUHTFVRNKYBJG-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.51
Rot. Bonds1

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

2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol (PubChem CID 137025263) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol
PubChem CID137025263
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol
SMILESCc1cc(-c2nc(C(F)(F)F)nn2C)ccc1O
InChIInChI=1S/C11H10F3N3O/c1-6-5-7(3-4-8(6)18)9-15-10(11(12,13)14)16-17(9)2/h3-5,18H,1-2H3
InChIKeyAIUHTFVRNKYBJG-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyphenyl)-N,N,3-trimethyl-1H-1,2,4-triazole-1-sulfonamide
CID 940797
2-{1-[2-(diethylamino)ethyl]-3-methyl-1H-1,2,4-triazol-5-yl}phenol
CID 1251433
4-(4-Methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-yl)-phenol
CID 649850
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
3-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899473
4-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899474
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
4-(1-methyl-1H-1,2,4-triazol-3-yl)phenol
CID 136270902
4-(1-methyl-1H-1,2,4-triazol-5-yl)phenol
CID 136316379
2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
CID 135495588
4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenol
CID 135600407
5-(4-Methoxyphenyl)-1-methyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,2,4-triazole
CID 139234285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol (CID 137025263) is 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol is Cc1cc(-c2nc(C(F)(F)F)nn2C)ccc1O.
What is the InChIKey of 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol?
The InChIKey is AIUHTFVRNKYBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6-5-7(3-4-8(6)18)9-15-10(11(12,13)14)16-17(9)2/h3-5,18H,1-2H3.
What are the key properties of 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol?
2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol has a molecular weight of 257.22 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 137025263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).