1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione

C15H16N6O3 — CID 47068528

IUPAC1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2nnnn2-c2c(C)cccc2C)C1=O
InChIInChI=1S/C15H16N6O3/c1-4-19-13(22)14(23)20(15(19)24)8-11-16-17-18-21(11)12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3
InChIKeyGPNHZMPABACBJY-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.59
Rot. Bonds4

About 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione

1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione (PubChem CID 47068528) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione
PubChem CID47068528
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione
SMILESCCN1C(=O)C(=O)N(Cc2nnnn2-c2c(C)cccc2C)C1=O
InChIInChI=1S/C15H16N6O3/c1-4-19-13(22)14(23)20(15(19)24)8-11-16-17-18-21(11)12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3
InChIKeyGPNHZMPABACBJY-UHFFFAOYSA-N
XLogP0.59
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
1-ethyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4,5-trione
CID 7824110
2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487800
5-(2-chloroprop-2-enylsulfinylmethyl)-1-(2,6-dimethylphenyl)tetrazole
CID 75377603
1-(2,6-dimethylphenyl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]tetrazole
CID 95351858
1-(2,6-dimethylphenyl)-5-[(4-nitrophenoxy)methyl]tetrazole
CID 60558969
[1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 75372784
3-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111463888
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
(2S,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345367
(2R,3R)-N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345368
1-ethyl-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 9207850

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione (CID 47068528) is 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione is CCN1C(=O)C(=O)N(Cc2nnnn2-c2c(C)cccc2C)C1=O.
What is the InChIKey of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione?
The InChIKey is GPNHZMPABACBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-4-19-13(22)14(23)20(15(19)24)8-11-16-17-18-21(11)12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione?
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione has a molecular weight of 328.33 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-3-ethylimidazolidine-2,4,5-trione is sourced from PubChem (CID 47068528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).