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

C12H15N3O — CID 115371870

IUPAC2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one
SMILESCCc1nc(=O)[nH]n1-c1cc(C)ccc1C
InChIInChI=1S/C12H15N3O/c1-4-11-13-12(16)14-15(11)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyXSFGZHOFRLZLJV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.74
Rot. Bonds2

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

2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 115371870) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one
PubChem CID115371870
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one
SMILESCCc1nc(=O)[nH]n1-c1cc(C)ccc1C
InChIInChI=1S/C12H15N3O/c1-4-11-13-12(16)14-15(11)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3,(H,14,16)
InChIKeyXSFGZHOFRLZLJV-UHFFFAOYSA-N
XLogP1.74
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
CID 159947269
2-(2,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66022710
2-(2,5-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbonitrile
CID 165485031
5-cyclopropyl-2-(2,5-dimethylphenyl)-1H-pyrazol-3-one
CID 66020243
2-(2,5-dimethylphenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66020242
4-ethyl-7-methyl-2H-[1,2,4]triazino[4,5-a]indol-1-one
CID 168797368
[2-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]methanol
CID 50974728
2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
CID 54146141
7-methyl-3H-[1,2,4]triazolo[1,5-a]pyridin-2-one
CID 67892668
4-(2-aminoethyl)-2-(2,5-dimethylphenyl)-5-ethyl-4H-pyrazol-3-one
CID 63972811
2-(2,5-dimethylphenyl)-1,2-benzoselenazol-3-one
CID 25181203
1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazole
CID 66016718

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one (CID 115371870) is 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one is CCc1nc(=O)[nH]n1-c1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is XSFGZHOFRLZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-4-11-13-12(16)14-15(11)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3,(H,14,16).
What are the key properties of 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one?
2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-3-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 115371870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).