4,6-diethyl-2H-1,2,4-triazine-3,5-dione

C7H11N3O2 — CID 22118353

IUPAC4,6-diethyl-2H-1,2,4-triazine-3,5-dione
SMILESCCc1n[nH]c(=O)n(CC)c1=O
InChIInChI=1S/C7H11N3O2/c1-3-5-6(11)10(4-2)7(12)9-8-5/h3-4H2,1-2H3,(H,9,12)
InChIKeyHLDZPODUPMLSET-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.49
Rot. Bonds2

About 4,6-diethyl-2H-1,2,4-triazine-3,5-dione

4,6-diethyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 22118353) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4,6-diethyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4,6-diethyl-2H-1,2,4-triazine-3,5-dione
PubChem CID22118353
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4,6-diethyl-2H-1,2,4-triazine-3,5-dione
SMILESCCc1n[nH]c(=O)n(CC)c1=O
InChIInChI=1S/C7H11N3O2/c1-3-5-6(11)10(4-2)7(12)9-8-5/h3-4H2,1-2H3,(H,9,12)
InChIKeyHLDZPODUPMLSET-UHFFFAOYSA-N
XLogP-0.49
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4,6-diethyl-2H-1,2,4-triazine-3,5-dione (CID 22118353) is 4,6-diethyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4,6-diethyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4,6-diethyl-2H-1,2,4-triazine-3,5-dione is CCc1n[nH]c(=O)n(CC)c1=O.
What is the InChIKey of 4,6-diethyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is HLDZPODUPMLSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-5-6(11)10(4-2)7(12)9-8-5/h3-4H2,1-2H3,(H,9,12).
What are the key properties of 4,6-diethyl-2H-1,2,4-triazine-3,5-dione?
4,6-diethyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 22118353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).