2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide

C8H13N5O4 — CID 112684569

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O4/c1-17-3-2-9-5(14)4-10-6-7(15)11-8(16)13-12-6/h2-4H2,1H3,(H,9,14)(H,10,12)(H2,11,13,15,16)
InChIKeyCKACKKTYMRPWLL-UHFFFAOYSA-N
MW243.22 g/mol
LogP-2.37
Rot. Bonds6

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 112684569) has the molecular formula C8H13N5O4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID112684569
Molecular FormulaC8H13N5O4
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H13N5O4/c1-17-3-2-9-5(14)4-10-6-7(15)11-8(16)13-12-6/h2-4H2,1H3,(H,9,14)(H,10,12)(H2,11,13,15,16)
InChIKeyCKACKKTYMRPWLL-UHFFFAOYSA-N
XLogP-2.37
TPSA128.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide with MolForge

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Related Compounds

Butyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate
CID 653702
6-(3-Morpholin-4-yl-3-oxo-propylamino)-2H-[1,2,4]triazine-3,5-dione
CID 655160
propyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
CID 1555500
Isobutyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)acetate
CID 682220
methylethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
CID 2787752
ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]acetate
CID 1241433
Propyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
CID 2729313
ethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
CID 2830492
methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]acetate
CID 1380206
N,N'-bis(6-aza-5-uracilyl)ethylenediamine
CID 23272736
6-[2-(2,2,2-trifluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 55032173
6-[2-(2,2-difluoroethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 103081408

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide (CID 112684569) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CKACKKTYMRPWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4/c1-17-3-2-9-5(14)4-10-6-7(15)11-8(16)13-12-6/h2-4H2,1H3,(H,9,14)(H,10,12)(H2,11,13,15,16).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 243.22 g/mol, XLogP of -2.37, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 112684569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).