4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione

C5H8N4O2 — CID 20788179

IUPAC4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione
SMILESCCc1n[nH]c(=O)n(N)c1=O
InChIInChI=1S/C5H8N4O2/c1-2-3-4(10)9(6)5(11)8-7-3/h2,6H2,1H3,(H,8,11)
InChIKeyOOHYZXPYFPEKEU-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.79
Rot. Bonds1

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

4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 20788179) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione
PubChem CID20788179
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione
SMILESCCc1n[nH]c(=O)n(N)c1=O
InChIInChI=1S/C5H8N4O2/c1-2-3-4(10)9(6)5(11)8-7-3/h2,6H2,1H3,(H,8,11)
InChIKeyOOHYZXPYFPEKEU-UHFFFAOYSA-N
XLogP-1.79
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione (CID 20788179) is 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione is CCc1n[nH]c(=O)n(N)c1=O.
What is the InChIKey of 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is OOHYZXPYFPEKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-3-4(10)9(6)5(11)8-7-3/h2,6H2,1H3,(H,8,11).
What are the key properties of 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione?
4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 156.15 g/mol, XLogP of -1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 20788179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).