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

C7H12N4O3 — CID 43646874

IUPAC6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCOCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-2-14-4-3-8-5-6(12)9-7(13)11-10-5/h2-4H2,1H3,(H,8,10)(H2,9,11,12,13)
InChIKeySNIORJSRGAALPW-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.09
Rot. Bonds5

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

6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43646874) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43646874
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCCOCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H12N4O3/c1-2-14-4-3-8-5-6(12)9-7(13)11-10-5/h2-4H2,1H3,(H,8,10)(H2,9,11,12,13)
InChIKeySNIORJSRGAALPW-UHFFFAOYSA-N
XLogP-1.09
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione (CID 43646874) is 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione is CCOCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SNIORJSRGAALPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-2-14-4-3-8-5-6(12)9-7(13)11-10-5/h2-4H2,1H3,(H,8,10)(H2,9,11,12,13).
What are the key properties of 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 200.20 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43646874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).