2-benzyl-1,2,4-triazinane-3,6-dione

C10H11N3O2 — CID 13133639

IUPAC2-benzyl-1,2,4-triazinane-3,6-dione
SMILESO=C1CNC(=O)N(Cc2ccccc2)N1
InChIInChI=1S/C10H11N3O2/c14-9-6-11-10(15)13(12-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,15)(H,12,14)
InChIKeyUKJZDZVPCXKNFL-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.24
Rot. Bonds2

About 2-benzyl-1,2,4-triazinane-3,6-dione

2-benzyl-1,2,4-triazinane-3,6-dione (PubChem CID 13133639) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-benzyl-1,2,4-triazinane-3,6-dione.

Molecular Properties

Compound Name2-benzyl-1,2,4-triazinane-3,6-dione
PubChem CID13133639
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-benzyl-1,2,4-triazinane-3,6-dione
SMILESO=C1CNC(=O)N(Cc2ccccc2)N1
InChIInChI=1S/C10H11N3O2/c14-9-6-11-10(15)13(12-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,15)(H,12,14)
InChIKeyUKJZDZVPCXKNFL-UHFFFAOYSA-N
XLogP0.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,2,4-triazinane-3,6-dione?
The IUPAC name of 2-benzyl-1,2,4-triazinane-3,6-dione (CID 13133639) is 2-benzyl-1,2,4-triazinane-3,6-dione.
What is the SMILES notation for 2-benzyl-1,2,4-triazinane-3,6-dione?
The canonical SMILES for 2-benzyl-1,2,4-triazinane-3,6-dione is O=C1CNC(=O)N(Cc2ccccc2)N1.
What is the InChIKey of 2-benzyl-1,2,4-triazinane-3,6-dione?
The InChIKey is UKJZDZVPCXKNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-9-6-11-10(15)13(12-9)7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,15)(H,12,14).
What are the key properties of 2-benzyl-1,2,4-triazinane-3,6-dione?
2-benzyl-1,2,4-triazinane-3,6-dione has a molecular weight of 205.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2,4-triazinane-3,6-dione is sourced from PubChem (CID 13133639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).