5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione

C17H21N5O3 — CID 131921503

IUPAC5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCCn1nc(COc2ccccc2)nc1CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C17H21N5O3/c1-4-22-15(10-13-16(23)21(3)17(24)20(13)2)18-14(19-22)11-25-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3
InChIKeyXCTPWYHQVFBQKC-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.31
Rot. Bonds6

About 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione

5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione (PubChem CID 131921503) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione
PubChem CID131921503
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione
SMILESCCn1nc(COc2ccccc2)nc1CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C17H21N5O3/c1-4-22-15(10-13-16(23)21(3)17(24)20(13)2)18-14(19-22)11-25-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3
InChIKeyXCTPWYHQVFBQKC-UHFFFAOYSA-N
XLogP1.31
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-phenoxyimidazolidine-2,4-dione
CID 143609407
1,3-dimethyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]imidazolidine-2,4-dione
CID 50948711
2-methyl-1-[5-[(4-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-triazol-1-yl]propan-2-ol
CID 131920197
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
3-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]propanoic acid
CID 98017098
2-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]ethanamine
CID 96660424
8-bromo-2-(phenoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117258015
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanone
CID 62771886
4,5-dichloro-2-ethyl-1-(2-phenoxyethyl)imidazole
CID 17272657
4-[2-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 72907240
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione (CID 131921503) is 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione is CCn1nc(COc2ccccc2)nc1CC1C(=O)N(C)C(=O)N1C.
What is the InChIKey of 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione?
The InChIKey is XCTPWYHQVFBQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-22-15(10-13-16(23)21(3)17(24)20(13)2)18-14(19-22)11-25-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3.
What are the key properties of 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione?
5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione has a molecular weight of 343.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methyl]-1,3-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 131921503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).