2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid

C14H15N3O6 — CID 82554419

IUPAC2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid
SMILESCOc1ccc(Cc2nn(CC(=O)O)c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C14H15N3O6/c1-22-9-4-3-8(11(6-9)23-2)5-10-13(20)15-14(21)17(16-10)7-12(18)19/h3-4,6H,5,7H2,1-2H3,(H,18,19)(H,15,20,21)
InChIKeyZZLYEUVZNUYJBX-UHFFFAOYSA-N
MW321.29 g/mol
LogP-0.38
Rot. Bonds6

About 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid

2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid (PubChem CID 82554419) has the molecular formula C14H15N3O6 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid
PubChem CID82554419
Molecular FormulaC14H15N3O6
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid
SMILESCOc1ccc(Cc2nn(CC(=O)O)c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C14H15N3O6/c1-22-9-4-3-8(11(6-9)23-2)5-10-13(20)15-14(21)17(16-10)7-12(18)19/h3-4,6H,5,7H2,1-2H3,(H,18,19)(H,15,20,21)
InChIKeyZZLYEUVZNUYJBX-UHFFFAOYSA-N
XLogP-0.38
TPSA123.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
2-[3-[(2,4-dimethoxyphenyl)methylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 170790056
methyl 4-bromo-1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyrazole-5-carboxylate
CID 164898299
2-[1-(2,4-dimethoxyphenyl)-4-hydroxy-6-oxopyridazin-3-yl]acetic acid
CID 82422065
2-[(2,4-dimethoxyphenyl)methylsulfonyl]acetic acid
CID 18003792
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid?
The IUPAC name of 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid (CID 82554419) is 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid?
The canonical SMILES for 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid is COc1ccc(Cc2nn(CC(=O)O)c(=O)[nH]c2=O)c(OC)c1.
What is the InChIKey of 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid?
The InChIKey is ZZLYEUVZNUYJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6/c1-22-9-4-3-8(11(6-9)23-2)5-10-13(20)15-14(21)17(16-10)7-12(18)19/h3-4,6H,5,7H2,1-2H3,(H,18,19)(H,15,20,21).
What are the key properties of 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid?
2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid has a molecular weight of 321.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2,4-dimethoxyphenyl)methyl]-3,5-dioxo-1,2,4-triazin-2-yl]acetic acid is sourced from PubChem (CID 82554419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).