1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione

C14H17N3O2 — CID 19307

IUPAC1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-13-15-14(19)17(12-9-5-2-6-10-12)16(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,18,19)
InChIKeyBQRGAIBZOJHBDC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.83
Rot. Bonds2

About 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione

1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 19307) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID19307
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(C2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-13-15-14(19)17(12-9-5-2-6-10-12)16(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,18,19)
InChIKeyBQRGAIBZOJHBDC-UHFFFAOYSA-N
XLogP1.83
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclopentyl-N'-phenylurea
CID 25740
N-phenylpyrrolidine-1-carboxamide
CID 791811
N-Cyclohexyl-N'-phenylurea
CID 13451
1-Cyclohexyl-1-methyl-3-phenylurea
CID 2813892
1-(4-Aminophenyl)-3-cyclohexylurea
CID 572632
1H-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-2-phenyl-
CID 714410
3-Cyclohexyl-1-methyl-1-phenylurea
CID 974401
1,2,4-Triazolidine-3,5-dione, 1-phenyl-
CID 95671
1-tert-Butyl-3-isopropyl-5-phenyl-2-biuret
CID 46737750
1,2-Dimethyl-4-Phenyl-1,2,4-triazolidine-3,5-dione
CID 6539163
5-Methyl-5-(3-methyl-3-butenyl)-2-phenyl-1,2,4-triazolan-3-one
CID 2731672
3-Oxo-N-phenyl-1-pyrazolidinecarboxamide
CID 1482220

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione (CID 19307) is 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione is O=c1[nH]c(=O)n(C2CCCCC2)n1-c1ccccc1.
What is the InChIKey of 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is BQRGAIBZOJHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-15-14(19)17(12-9-5-2-6-10-12)16(13)11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,15,18,19).
What are the key properties of 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione?
1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 259.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 19307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).