2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione

C11H11N3O2 — CID 12569264

IUPAC2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cc(C)cc(-n2ncc(=O)[nH]c2=O)c1
InChIInChI=1S/C11H11N3O2/c1-7-3-8(2)5-9(4-7)14-11(16)13-10(15)6-12-14/h3-6H,1-2H3,(H,13,15,16)
InChIKeyQLYXXNOAOGKYDD-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.54
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione

2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione (PubChem CID 12569264) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione
PubChem CID12569264
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cc(C)cc(-n2ncc(=O)[nH]c2=O)c1
InChIInChI=1S/C11H11N3O2/c1-7-3-8(2)5-9(4-7)14-11(16)13-10(15)6-12-14/h3-6H,1-2H3,(H,13,15,16)
InChIKeyQLYXXNOAOGKYDD-UHFFFAOYSA-N
XLogP0.54
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione (CID 12569264) is 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione is Cc1cc(C)cc(-n2ncc(=O)[nH]c2=O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is QLYXXNOAOGKYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-3-8(2)5-9(4-7)14-11(16)13-10(15)6-12-14/h3-6H,1-2H3,(H,13,15,16).
What are the key properties of 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione?
2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 217.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12569264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).