1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione

C21H23N3O2 — CID 563525

IUPAC1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n(C2(c3ccccc3)CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C21H23N3O2/c1-23-19(25)22-24(20(23)26)21(18-10-6-3-7-11-18)14-12-17(13-15-21)16-8-4-2-5-9-16/h2-11,17H,12-15H2,1H3,(H,22,25)
InChIKeyKLJNRUZLTURMEP-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.98
Rot. Bonds3

About 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione

1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione (PubChem CID 563525) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione
PubChem CID563525
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n(C2(c3ccccc3)CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C21H23N3O2/c1-23-19(25)22-24(20(23)26)21(18-10-6-3-7-11-18)14-12-17(13-15-21)16-8-4-2-5-9-16/h2-11,17H,12-15H2,1H3,(H,22,25)
InChIKeyKLJNRUZLTURMEP-UHFFFAOYSA-N
XLogP2.98
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bicarbamimide, 2-(diphenylmethyl)-
CID 215080
4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
CID 139316510
4-methyl-1-[(1R,6R)-6-phenyl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
CID 145752191
4-methyl-1-[(1S,6R)-6-phenyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
CID 177854191
4-methyl-1-[(1R,2R)-2-phenyl-5-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
CID 177854260
1H-Imidazo[4,5-E]1,2,4-triazine-3,6(2H,4H)-dione, tetrahydro-5,7-dimethyl-4a,7a-diphenyl-
CID 627793
4-methyl-1-[(1R,2R)-2-phenyl-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
CID 139316211
4-methyl-1-[(1S,6R)-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
CID 139316506
4-methyl-1-[(1S,6R)-6-phenylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
CID 139316553
4-methyl-1-[(1S,6R)-6-naphthalen-2-ylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
CID 139316563
4-methyl-1-[(1R,6R)-6-phenyl-2-trimethylsilylcyclohexa-2,4-dien-1-yl]-1,2,4-triazolidine-3,5-dione
CID 145752193
1-[(1S,6R)-6-(4-fluorophenyl)cyclohexa-2,4-dien-1-yl]-4-methyl-1,2,4-triazolidine-3,5-dione
CID 139316191

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione (CID 563525) is 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione is Cn1c(=O)[nH]n(C2(c3ccccc3)CCC(c3ccccc3)CC2)c1=O.
What is the InChIKey of 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is KLJNRUZLTURMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-23-19(25)22-24(20(23)26)21(18-10-6-3-7-11-18)14-12-17(13-15-21)16-8-4-2-5-9-16/h2-11,17H,12-15H2,1H3,(H,22,25).
What are the key properties of 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione?
1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 349.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diphenylcyclohexyl)-4-methyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 563525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).