6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione

C6H7N3O3 — CID 13001214

IUPAC6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione
SMILESCC(=O)Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-3(10)2-4-5(11)7-6(12)9-8-4/h2H2,1H3,(H2,7,9,11,12)
InChIKeyPGDTYRQSCLVWRC-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.41
Rot. Bonds2

About 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione

6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 13001214) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione
PubChem CID13001214
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione
SMILESCC(=O)Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-3(10)2-4-5(11)7-6(12)9-8-4/h2H2,1H3,(H2,7,9,11,12)
InChIKeyPGDTYRQSCLVWRC-UHFFFAOYSA-N
XLogP-1.41
TPSA95.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione (CID 13001214) is 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione is CC(=O)Cc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PGDTYRQSCLVWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3(10)2-4-5(11)7-6(12)9-8-4/h2H2,1H3,(H2,7,9,11,12).
What are the key properties of 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione?
6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 169.14 g/mol, XLogP of -1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxopropyl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 13001214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).