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

C18H18N4O2 — CID 135634760

IUPAC6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(-c2nnc(NCCc3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C18H18N4O2/c1-24-15-9-7-14(8-10-15)16-17(23)20-18(22-21-16)19-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,20,22,23)
InChIKeyTYLQVMVUIOIKFW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.50
Rot. Bonds6

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

6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135634760) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135634760
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(-c2nnc(NCCc3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C18H18N4O2/c1-24-15-9-7-14(8-10-15)16-17(23)20-18(22-21-16)19-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,20,22,23)
InChIKeyTYLQVMVUIOIKFW-UHFFFAOYSA-N
XLogP2.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-3-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
3-((2-hydroxyethyl)amino)-6-(4-methoxybenzyl)-1,2,4-triazin-5(4H)-one
CID 135561200
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-phenylethyl)propanamide
CID 16003215
4-Methoxybenzaldehyde (5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135411612
6-(4-Methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46703014
8-(2-Fluorobenzyl)-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029521
8-[(3-Fluorophenyl)methyl]-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-EN-2-one
CID 53029529
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 70693720
6-(4-ethoxybenzyl)-3-morpholino-1,2,4-triazin-5(4H)-one
CID 135561218
3-((3,4-dimethoxyphenethyl)amino)-6-(p-tolyl)-1,2,4-triazin-5(4H)-one
CID 135658981
3-((3,4-dimethoxyphenethyl)amino)-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-one
CID 135686505
(2E)-2-methoxyimino-N-methyl-2-(4-phenoxyphenyl)acetamide
CID 76309305

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one (CID 135634760) is 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one is COc1ccc(-c2nnc(NCCc3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is TYLQVMVUIOIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-15-9-7-14(8-10-15)16-17(23)20-18(22-21-16)19-12-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,19,20,22,23).
What are the key properties of 6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
6-(4-methoxyphenyl)-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 322.37 g/mol, XLogP of 2.50, 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-(2-phenylethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135634760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).