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

C10H9N3O2 — CID 12661477

IUPAC2-(3-methylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cccc(-n2ncc(=O)[nH]c2=O)c1
InChIInChI=1S/C10H9N3O2/c1-7-3-2-4-8(5-7)13-10(15)12-9(14)6-11-13/h2-6H,1H3,(H,12,14,15)
InChIKeyHPRSSPBWYAIGTM-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.23
Rot. Bonds1

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

2-(3-methylphenyl)-1,2,4-triazine-3,5-dione (PubChem CID 12661477) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3-methylphenyl)-1,2,4-triazine-3,5-dione
PubChem CID12661477
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(3-methylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cccc(-n2ncc(=O)[nH]c2=O)c1
InChIInChI=1S/C10H9N3O2/c1-7-3-2-4-8(5-7)13-10(15)12-9(14)6-11-13/h2-6H,1H3,(H,12,14,15)
InChIKeyHPRSSPBWYAIGTM-UHFFFAOYSA-N
XLogP0.23
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione (CID 12661477) is 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione is Cc1cccc(-n2ncc(=O)[nH]c2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is HPRSSPBWYAIGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-3-2-4-8(5-7)13-10(15)12-9(14)6-11-13/h2-6H,1H3,(H,12,14,15).
What are the key properties of 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione?
2-(3-methylphenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 203.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12661477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).