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

C9H7N3O2 — CID 12614335

IUPAC4-phenyl-6H-1,2,4-triazine-3,5-dione
SMILESO=C1CN=NC(=O)N1c1ccccc1
InChIInChI=1S/C9H7N3O2/c13-8-6-10-11-9(14)12(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyCHVYIPUMEYRQLW-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.61
Rot. Bonds1

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

4-phenyl-6H-1,2,4-triazine-3,5-dione (PubChem CID 12614335) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-phenyl-6H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-phenyl-6H-1,2,4-triazine-3,5-dione
PubChem CID12614335
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-phenyl-6H-1,2,4-triazine-3,5-dione
SMILESO=C1CN=NC(=O)N1c1ccccc1
InChIInChI=1S/C9H7N3O2/c13-8-6-10-11-9(14)12(8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyCHVYIPUMEYRQLW-UHFFFAOYSA-N
XLogP1.61
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-phenyl-6H-1,2,4-triazine-3,5-dione (CID 12614335) is 4-phenyl-6H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-phenyl-6H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-phenyl-6H-1,2,4-triazine-3,5-dione is O=C1CN=NC(=O)N1c1ccccc1.
What is the InChIKey of 4-phenyl-6H-1,2,4-triazine-3,5-dione?
The InChIKey is CHVYIPUMEYRQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-8-6-10-11-9(14)12(8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 4-phenyl-6H-1,2,4-triazine-3,5-dione?
4-phenyl-6H-1,2,4-triazine-3,5-dione has a molecular weight of 189.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12614335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).