3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one

C18H19N3O2 — CID 143589751

IUPAC3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one
SMILESCCc1cc(-c2n[nH]c(=O)n2-c2cccc(C)c2)c(C)cc1O
InChIInChI=1S/C18H19N3O2/c1-4-13-10-15(12(3)9-16(13)22)17-19-20-18(23)21(17)14-7-5-6-11(2)8-14/h5-10,22H,4H2,1-3H3,(H,20,23)
InChIKeyNOMQHVFFZSVPEI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.11
Rot. Bonds3

About 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one

3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one (PubChem CID 143589751) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one
PubChem CID143589751
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one
SMILESCCc1cc(-c2n[nH]c(=O)n2-c2cccc(C)c2)c(C)cc1O
InChIInChI=1S/C18H19N3O2/c1-4-13-10-15(12(3)9-16(13)22)17-19-20-18(23)21(17)14-7-5-6-11(2)8-14/h5-10,22H,4H2,1-3H3,(H,20,23)
InChIKeyNOMQHVFFZSVPEI-UHFFFAOYSA-N
XLogP3.11
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione
CID 136603588
4-[5-amino-4-(3-methylphenyl)-1,2,4-triazol-3-yl]-6-ethylbenzene-1,3-diol;ethane
CID 143589451
3-(2-methyl-1,3-oxazol-4-yl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one
CID 50983276
3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methyl-2-prop-1-enylphenyl)-1H-1,2,4-triazole-5-thione
CID 137155846
4-[3-(dimethylamino)phenyl]-3-(5-ethyl-2-hydroxy-4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 136503231
3-(5-ethyl-2,4-dihydroxyphenyl)-4-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 136620876
4-(2-fluoro-3-methylphenyl)-3-(4-hydroxy-2-methylphenyl)-1H-1,2,4-triazol-5-one
CID 136620813
3-(2-aminopropan-2-yl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one
CID 81481900
4-(3-methylphenyl)-3-piperidin-2-yl-1H-1,2,4-triazol-5-one
CID 81479889
4-(3-methylphenyl)-3-piperidin-4-yl-1H-1,2,4-triazol-5-one
CID 81488298
4-(3-chlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-1H-1,2,4-triazol-5-one
CID 50968926
[4-[4-(1,3-dimethylindol-5-yl)-5-oxo-1H-1,2,4-triazol-3-yl]-2-ethyl-5-hydroxyphenyl] dihydrogen phosphate
CID 135949567

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one (CID 143589751) is 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one is CCc1cc(-c2n[nH]c(=O)n2-c2cccc(C)c2)c(C)cc1O.
What is the InChIKey of 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one?
The InChIKey is NOMQHVFFZSVPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-13-10-15(12(3)9-16(13)22)17-19-20-18(23)21(17)14-7-5-6-11(2)8-14/h5-10,22H,4H2,1-3H3,(H,20,23).
What are the key properties of 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one?
3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one has a molecular weight of 309.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-hydroxy-2-methylphenyl)-4-(3-methylphenyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 143589751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).