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

C10H9N3O2 — CID 576546

IUPAC6-benzyl-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)
InChIKeyGFMZRLHACQXOBV-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.05
Rot. Bonds2

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

6-benzyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 576546) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-benzyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-benzyl-2H-1,2,4-triazine-3,5-dione
PubChem CID576546
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name6-benzyl-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15)
InChIKeyGFMZRLHACQXOBV-UHFFFAOYSA-N
XLogP0.05
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-benzyl-2H-1,2,4-triazine-3,5-dione (CID 576546) is 6-benzyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-benzyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-benzyl-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 6-benzyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GFMZRLHACQXOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15).
What are the key properties of 6-benzyl-2H-1,2,4-triazine-3,5-dione?
6-benzyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 203.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 576546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).