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

C17H15N3O2 — CID 22585567

IUPAC5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one
SMILESCOc1ccccc1-c1n[nH]c(=O)c(Cc2ccccc2)n1
InChIInChI=1S/C17H15N3O2/c1-22-15-10-6-5-9-13(15)16-18-14(17(21)20-19-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyFJPOVXSOUCJLBC-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.43
Rot. Bonds4

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

5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one (PubChem CID 22585567) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one
PubChem CID22585567
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one
SMILESCOc1ccccc1-c1n[nH]c(=O)c(Cc2ccccc2)n1
InChIInChI=1S/C17H15N3O2/c1-22-15-10-6-5-9-13(15)16-18-14(17(21)20-19-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyFJPOVXSOUCJLBC-UHFFFAOYSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58763958
5-cyclohexyl-3-(2-methoxyphenyl)-1H-1,2,4-triazole
CID 61337352
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
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5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
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4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline
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5-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 30926882
5-bromo-4-(5-chloro-2-methoxyphenyl)-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
CID 127029931
[2,8-dibenzyl-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135364610
4-amino-N-[[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569643
4-(2-methoxyphenyl)-5-[(E)-2-phenylethenyl]-3-propyl-1H-pyridazin-6-one
CID 69398082
5-(2-aminopropan-2-yl)-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 82445812
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one?
The IUPAC name of 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one (CID 22585567) is 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one?
The canonical SMILES for 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one is COc1ccccc1-c1n[nH]c(=O)c(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one?
The InChIKey is FJPOVXSOUCJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-15-10-6-5-9-13(15)16-18-14(17(21)20-19-16)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one?
5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one has a molecular weight of 293.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-methoxyphenyl)-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 22585567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).