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

C12H14N4O — CID 2792515

IUPAC5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCc1ccccc1Nc1nc(=O)[nH]nc1C
InChIInChI=1S/C12H14N4O/c1-3-9-6-4-5-7-10(9)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyBECHHWBUUJSBTB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.78
Rot. Bonds3

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

5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 2792515) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID2792515
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCc1ccccc1Nc1nc(=O)[nH]nc1C
InChIInChI=1S/C12H14N4O/c1-3-9-6-4-5-7-10(9)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyBECHHWBUUJSBTB-UHFFFAOYSA-N
XLogP1.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
CID 9815578
5-Methyl-5H-[1,2,4]triazino[5,6-b]indol-3-ol
CID 776913
6-(4-methylanilino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 166634589
6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one
CID 3471415
6-Methyl-5-[(4-Propan-2-Ylphenyl)amino]-2~{h}-1,2,4-Triazin-3-One
CID 4074449
6-methyl-5-[(4-methylphenyl)amino]-2H-1,2,4-triazin-3-one
CID 2791382
3-ethyl-4-(4-ethylphenyl)-1H-1,2,4-triazol-5-one
CID 172464698
5-anilino-2H-1,2,4-triazin-3-one
CID 2140579
5,10-dihydro-2H-[1,2,4]triazino[5,6-b]quinoline-3-thione
CID 71597250
1,2-Dihydro-3h-[1,2,4]triazino[5,6-b]indol-3-one
CID 135445032
5-{[3-(trifluoromethyl)phenyl]amino}-2H-1,2,4-triazin-3-one
CID 2140580
5-(4-chloro-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 3538534

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one (CID 2792515) is 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one is CCc1ccccc1Nc1nc(=O)[nH]nc1C.
What is the InChIKey of 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is BECHHWBUUJSBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-9-6-4-5-7-10(9)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylanilino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 2792515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).