methylethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
Basic information
- CAS
1396962-89-2- Standard SMILES
CC(C)OC(=O)C(C)Nc1n[nH]c(=O)[nH]c1=O- InChIKey
TULJUUYSHKAUMB-UHFFFAOYSA-N- Molecular formula
- C9H14N4O4
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.10150494
Names & identifiers
- Preferred name
- methylethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
- IUPAC
- propan-2-yl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanoate
- English name
- isopropyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate
- Molecular formula
- C9H14N4O4
- Molecular weight
- 242.23
Names & synonyms
methylethyl 2-[(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoateISOPROPYL 2-((3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)AMINO)PROPANOATEisopropyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoateTimTec1_001904Oprea1_363054propan-2-yl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninateHMS1539G12STK645435STK762201AKOS000535801AKOS005576429AKOS016312145
Show more names
Alanine, N-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)-, 1-methylethyl ester
ST025575EU-0002130AE-641/11289403SR-01000405511SR-01000405511-1propan-2-yl N-(3,5-dihydroxy-1,2,4-triazin-6-yl)alaninateisopropyl N-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)alaninate
Database identifiers
- CAS
1396962-89-2- PubChem CID
- 2787752
- EC Number
- 138-698-5
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Density
- 1.48 · 1.480±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.126 · 7.126±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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