3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one

C15H14N4OS — CID 136779508

IUPAC3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESCCc1ccccc1Nc1nnc(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C15H14N4OS/c1-2-10-6-3-4-7-11(10)16-15-17-14(20)13(18-19-15)12-8-5-9-21-12/h3-9H,2H2,1H3,(H2,16,17,19,20)
InChIKeyLNIDTBBJQASRJP-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.20
Rot. Bonds4

About 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one

3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (PubChem CID 136779508) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
PubChem CID136779508
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
SMILESCCc1ccccc1Nc1nnc(-c2cccs2)c(=O)[nH]1
InChIInChI=1S/C15H14N4OS/c1-2-10-6-3-4-7-11(10)16-15-17-14(20)13(18-19-15)12-8-5-9-21-12/h3-9H,2H2,1H3,(H2,16,17,19,20)
InChIKeyLNIDTBBJQASRJP-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydrazinyl-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 135843306
N-[4-[(5-oxo-6-thiophen-2-yl-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
CID 136778844
3-[4-(ethylsulfanylmethyl)anilino]-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136683742
3-(4-phenoxyanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779061
3-(2-ethylanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135721958
N-(2-ethylphenyl)-3-thiophen-2-ylsulfanyl-1H-1,2,4-triazol-5-amine
CID 139946314
2-(2-ethylanilino)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136779495
3-(2-morpholin-4-ylethylamino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one
CID 136779611
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
3-ethyl-4-(methylamino)-6-thiophen-2-yl-1,2,4-triazin-5-one
CID 22757892
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one (CID 136779508) is 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is CCc1ccccc1Nc1nnc(-c2cccs2)c(=O)[nH]1.
What is the InChIKey of 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
The InChIKey is LNIDTBBJQASRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-10-6-3-4-7-11(10)16-15-17-14(20)13(18-19-15)12-8-5-9-21-12/h3-9H,2H2,1H3,(H2,16,17,19,20).
What are the key properties of 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one?
3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one has a molecular weight of 298.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylanilino)-6-thiophen-2-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).