2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione

C6H8N4O3 — CID 23262884

IUPAC2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione
SMILESCNc1nn(C(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c1-3(11)10-6(13)8-5(12)4(7-2)9-10/h1-2H3,(H,7,9)(H,8,12,13)
InChIKeyYCTQATAYVRRMHF-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.37
Rot. Bonds1

About 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione

2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione (PubChem CID 23262884) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione
PubChem CID23262884
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione
SMILESCNc1nn(C(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O3/c1-3(11)10-6(13)8-5(12)4(7-2)9-10/h1-2H3,(H,7,9)(H,8,12,13)
InChIKeyYCTQATAYVRRMHF-UHFFFAOYSA-N
XLogP-1.37
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-acetyl-6-(methylamino)-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 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione (CID 23262884) is 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione is CNc1nn(C(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is YCTQATAYVRRMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-3(11)10-6(13)8-5(12)4(7-2)9-10/h1-2H3,(H,7,9)(H,8,12,13).
What are the key properties of 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 184.15 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-(methylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23262884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).