2-benzyl-1,2,4-triazine-3,5-dione

C10H9N3O2 — CID 732243

IUPAC2-benzyl-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-6-11-13(10(15)12-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,14,15)
InChIKeyODZYNEQCDJBCAX-UHFFFAOYSA-N
MW203.20 g/mol
LogP-0.02
Rot. Bonds2

About 2-benzyl-1,2,4-triazine-3,5-dione

2-benzyl-1,2,4-triazine-3,5-dione (PubChem CID 732243) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-benzyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-benzyl-1,2,4-triazine-3,5-dione
PubChem CID732243
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-benzyl-1,2,4-triazine-3,5-dione
SMILESO=c1cnn(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-6-11-13(10(15)12-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,14,15)
InChIKeyODZYNEQCDJBCAX-UHFFFAOYSA-N
XLogP-0.02
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-benzyl-1,2,4-triazine-3,5-dione (CID 732243) is 2-benzyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-benzyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-benzyl-1,2,4-triazine-3,5-dione is O=c1cnn(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-benzyl-1,2,4-triazine-3,5-dione?
The InChIKey is ODZYNEQCDJBCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-9-6-11-13(10(15)12-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,14,15).
What are the key properties of 2-benzyl-1,2,4-triazine-3,5-dione?
2-benzyl-1,2,4-triazine-3,5-dione has a molecular weight of 203.20 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 732243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).