6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione

C9H8ClN3O2 — CID 686410

IUPAC6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)NC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4,7H,(H3,11,12,13,14,15)
InChIKeyOQHYGDPMRMKFGX-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.36
Rot. Bonds1

About 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione

6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione (PubChem CID 686410) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione
PubChem CID686410
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione
SMILESO=C1NC(=O)NC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C9H8ClN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4,7H,(H3,11,12,13,14,15)
InChIKeyOQHYGDPMRMKFGX-UHFFFAOYSA-N
XLogP1.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione (CID 686410) is 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione is O=C1NC(=O)NC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione?
The InChIKey is OQHYGDPMRMKFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-6-3-1-5(2-4-6)7-11-8(14)13-9(15)12-7/h1-4,7H,(H3,11,12,13,14,15).
What are the key properties of 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione?
6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione has a molecular weight of 225.64 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 686410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).