6-phenyl-1H-1,3,5-triazine-2,4-dione

C9H7N3O2 — CID 24036

IUPAC6-phenyl-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(-c2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H7N3O2/c13-8-10-7(11-9(14)12-8)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12,13,14)
InChIKeyKGKPZSCTAFFXBV-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.13
Rot. Bonds1

About 6-phenyl-1H-1,3,5-triazine-2,4-dione

6-phenyl-1H-1,3,5-triazine-2,4-dione (PubChem CID 24036) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 6-phenyl-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-phenyl-1H-1,3,5-triazine-2,4-dione
PubChem CID24036
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name6-phenyl-1H-1,3,5-triazine-2,4-dione
SMILESO=c1nc(-c2ccccc2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H7N3O2/c13-8-10-7(11-9(14)12-8)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12,13,14)
InChIKeyKGKPZSCTAFFXBV-UHFFFAOYSA-N
XLogP0.13
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-phenyl-1H-1,3,5-triazine-2,4-dione (CID 24036) is 6-phenyl-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-phenyl-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-phenyl-1H-1,3,5-triazine-2,4-dione is O=c1nc(-c2ccccc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-phenyl-1H-1,3,5-triazine-2,4-dione?
The InChIKey is KGKPZSCTAFFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-8-10-7(11-9(14)12-8)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12,13,14).
What are the key properties of 6-phenyl-1H-1,3,5-triazine-2,4-dione?
6-phenyl-1H-1,3,5-triazine-2,4-dione has a molecular weight of 189.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 24036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).