6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one

C15H20N4O2 — CID 136780374

IUPAC6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(-c2nnc(NCCC(C)C)[nH]c2=O)cc1
InChIInChI=1S/C15H20N4O2/c1-10(2)8-9-16-15-17-14(20)13(18-19-15)11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyPTKAEQYPASCWOA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.30
Rot. Bonds6

About 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one

6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one (PubChem CID 136780374) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one
PubChem CID136780374
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(-c2nnc(NCCC(C)C)[nH]c2=O)cc1
InChIInChI=1S/C15H20N4O2/c1-10(2)8-9-16-15-17-14(20)13(18-19-15)11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20)
InChIKeyPTKAEQYPASCWOA-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(butylamino)-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779808
3-[3-(dimethylamino)propylamino]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779950
3-[2-(4-methoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135612014
3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136920355
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135476904
6-(4-methoxyphenyl)-3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136789298
3-(2,5-difluoroanilino)-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779313
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135511625
[4-[(E)-[[6-(4-methoxyphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]hydrazinylidene]methyl]phenyl] acetate
CID 136789249
6-(4-methoxyphenyl)-3-[(2E)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136789183
3-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136789163
6-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]-4H-1,2,4-triazin-5-one
CID 136778620

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one (CID 136780374) is 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one is COc1ccc(-c2nnc(NCCC(C)C)[nH]c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is PTKAEQYPASCWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)8-9-16-15-17-14(20)13(18-19-15)11-4-6-12(21-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one?
6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 288.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).