5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one

C11H12N4O2 — CID 22694039

IUPAC5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one
SMILESCCOc1ccccc1Nc1cn[nH]c(=O)n1
InChIInChI=1S/C11H12N4O2/c1-2-17-9-6-4-3-5-8(9)13-10-7-12-15-11(16)14-10/h3-7H,2H2,1H3,(H2,13,14,15,16)
InChIKeyXPUXEVFCLQBLGI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.31
Rot. Bonds4

About 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one

5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one (PubChem CID 22694039) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one
PubChem CID22694039
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one
SMILESCCOc1ccccc1Nc1cn[nH]c(=O)n1
InChIInChI=1S/C11H12N4O2/c1-2-17-9-6-4-3-5-8(9)13-10-7-12-15-11(16)14-10/h3-7H,2H2,1H3,(H2,13,14,15,16)
InChIKeyXPUXEVFCLQBLGI-UHFFFAOYSA-N
XLogP1.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-propoxyanilino)-2H-1,2,4-triazin-3-one
CID 7541113
5-(3,4-diethoxyanilino)-2H-1,2,4-triazin-3-one
CID 20995208
5-(2-propoxyanilino)-2H-1,2,4-triazine-3-thione
CID 23412165
6-N-(2-ethoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80763064
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938622
6-N-(2-ethoxyphenyl)-2-N-propylpyridine-2,6-diamine
CID 80763066
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
3-N-(4-chlorophenyl)-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966082

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one (CID 22694039) is 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one is CCOc1ccccc1Nc1cn[nH]c(=O)n1.
What is the InChIKey of 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one?
The InChIKey is XPUXEVFCLQBLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-2-17-9-6-4-3-5-8(9)13-10-7-12-15-11(16)14-10/h3-7H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one?
5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one has a molecular weight of 232.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyanilino)-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 22694039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).