1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone

C19H19N5O — CID 112964447

IUPAC1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
SMILESCCN(c1ccccc1)c1nncc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C19H19N5O/c1-3-24(17-7-5-4-6-8-17)19-22-18(13-20-23-19)21-16-11-9-15(10-12-16)14(2)25/h4-13H,3H2,1-2H3,(H,21,22,23)
InChIKeyLSWZDEHRDCTRDR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone

1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone (PubChem CID 112964447) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
PubChem CID112964447
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
SMILESCCN(c1ccccc1)c1nncc(Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C19H19N5O/c1-3-24(17-7-5-4-6-8-17)19-22-18(13-20-23-19)21-16-11-9-15(10-12-16)14(2)25/h4-13H,3H2,1-2H3,(H,21,22,23)
InChIKeyLSWZDEHRDCTRDR-UHFFFAOYSA-N
XLogP3.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[2-(N-ethylanilino)-6-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112928857
N-[4-[[3-(N-ethyl-3-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968572
1-[4-[[5-[4-(diethylamino)anilino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112968441
1-[4-[[3-(2-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112964102
3-N-ethyl-3-N-(3-methylphenyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964823
3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112959814
1-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112940209
5-N-(3,4-dichlorophenyl)-3-N-ethyl-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969527
3-N-ethyl-3-N-(3-methylphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967888
1-[4-[[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112951649
ethyl 4-[[3-[butyl(methyl)amino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112960229
5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964441

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone (CID 112964447) is 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone is CCN(c1ccccc1)c1nncc(Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
The InChIKey is LSWZDEHRDCTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-3-24(17-7-5-4-6-8-17)19-22-18(13-20-23-19)21-16-11-9-15(10-12-16)14(2)25/h4-13H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone?
1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone has a molecular weight of 333.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112964447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).