4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione

C16H15N3O3 — CID 4791207

IUPAC4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
SMILESCOc1cccc(Cn2c(=O)[nH]n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C16H15N3O3/c1-22-14-9-5-6-12(10-14)11-18-15(20)17-19(16(18)21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,20)
InChIKeyYJACASKRXRFGDW-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.38
Rot. Bonds4

About 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione

4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 4791207) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID4791207
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
SMILESCOc1cccc(Cn2c(=O)[nH]n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C16H15N3O3/c1-22-14-9-5-6-12(10-14)11-18-15(20)17-19(16(18)21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,20)
InChIKeyYJACASKRXRFGDW-UHFFFAOYSA-N
XLogP1.38
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(3-methoxyphenyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione
CID 5104165
1-[(3-methoxyphenyl)methyl]-3,4-diphenyl-5-(piperazine-1-carbonyl)imidazol-2-one
CID 59292634
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
1-benzyl-3-(3-methoxyphenyl)-7-[(3-methoxyphenyl)methyl]purine-2,6-dione
CID 46061582
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358207
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
4-[(3-methoxyphenyl)methyl]-5-phenylthieno[3,2-b]pyridin-7-one
CID 102442711
N-benzyl-2-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-N-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 83283616

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione (CID 4791207) is 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione is COc1cccc(Cn2c(=O)[nH]n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is YJACASKRXRFGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-14-9-5-6-12(10-14)11-18-15(20)17-19(16(18)21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,20).
What are the key properties of 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 297.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 4791207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).