2-acetyl-6-methyl-1,2,4-triazine-3,5-dione

C6H7N3O3 — CID 44725398

IUPAC2-acetyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCC(=O)n1nc(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-3-5(11)7-6(12)9(8-3)4(2)10/h1-2H3,(H,7,11,12)
InChIKeyMYVDSKFYHAGZDI-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.10
Rot. Bonds

About 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione

2-acetyl-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 44725398) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-acetyl-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID44725398
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name2-acetyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCC(=O)n1nc(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-3-5(11)7-6(12)9(8-3)4(2)10/h1-2H3,(H,7,11,12)
InChIKeyMYVDSKFYHAGZDI-UHFFFAOYSA-N
XLogP-1.10
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Azathymine
CID 70269
4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
CID 11073521
2,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 244943
6-(Fluoromethyl)-1,2,4-triazine-3,5(2h,4h)-dione
CID 263427
6-Ethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 23273425
6-Methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
CID 51063156
6-(Fluoromethyl)-2-methyl-1,2,4-triazine-3,5-dione
CID 155363548
2-Tert-butyl-6-(difluoromethyl)-1,2,4-triazine-3,5-dione
CID 178474593
2-Tert-butyl-6-(fluoromethyl)-1,2,4-triazine-3,5-dione
CID 178474674
2-Acetyl-6-(trifluoromethyl)-1,2,4-triazine-3,5-dione
CID 21814366
3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 10855552
2-Tert-butyl-6-methyl-1,2,4-triazine-3,5-dione
CID 58821051

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione (CID 44725398) is 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione is CC(=O)n1nc(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is MYVDSKFYHAGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-3-5(11)7-6(12)9(8-3)4(2)10/h1-2H3,(H,7,11,12).
What are the key properties of 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione?
2-acetyl-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 169.14 g/mol, XLogP of -1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 44725398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).