methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate

C6H8N4O4 — CID 1380206

IUPACmethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
SMILESCOC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O4/c1-14-3(11)2-7-4-5(12)8-6(13)10-9-4/h2H2,1H3,(H,7,9)(H2,8,10,12,13)
InChIKeyZUIRCVDOLUPWDN-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.96
Rot. Bonds3

About methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate

methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate (PubChem CID 1380206) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
PubChem CID1380206
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Namemethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
SMILESCOC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H8N4O4/c1-14-3(11)2-7-4-5(12)8-6(13)10-9-4/h2H2,1H3,(H,7,9)(H2,8,10,12,13)
InChIKeyZUIRCVDOLUPWDN-UHFFFAOYSA-N
XLogP-1.96
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
The IUPAC name of methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate (CID 1380206) is methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
The canonical SMILES for methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate is COC(=O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
The InChIKey is ZUIRCVDOLUPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c1-14-3(11)2-7-4-5(12)8-6(13)10-9-4/h2H2,1H3,(H,7,9)(H2,8,10,12,13).
What are the key properties of methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate?
methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate has a molecular weight of 200.15 g/mol, XLogP of -1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate is sourced from PubChem (CID 1380206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).