ethyl 5-[[6-[(5-ethoxycarbonyl-2H-triazol-4-yl)amino]pyrazin-2-yl]amino]-2H-triazole-4-carboxylate
Basic information
- CAS
74290-49-6- Standard SMILES
CCOC(=O)c1n[nH]nc1Nc1cncc(Nc2n[nH]nc2C(=O)OCC)n1- InChIKey
HLDAAGCJOVXGNG-UHFFFAOYSA-N- Molecular formula
- C14H16N10O4
- Average molar mass
- 388.34 g/mol
- Monoisotopic mass
- 388.13559903
Names & identifiers
- Preferred name
- ethyl 5-[[6-[(5-ethoxycarbonyl-2H-triazol-4-yl)amino]pyrazin-2-yl]amino]-2H-triazole-4-carboxylate
- IUPAC
- ethyl 5-[[6-[(5-ethoxycarbonyl-2H-triazol-4-yl)amino]pyrazin-2-yl]amino]-2H-triazole-4-carboxylate
Names & synonyms
74290-49-6Diethyl 5,5'-(pyrazine-2,6-diylbis(azanediyl))bis(2H-1,2,3-triazole-4-carboxylate)ethyl 5-[[6-[(5-ethoxycarbonyl-2H-triazol-4-yl)amino]pyrazin-2-yl]amino]-2H-triazole-4-carboxylateNSC364429DTXSID00320795NSC-364429DS-001478Diethyl 5,5'-(pyrazine-2,6-diyldiazanediyl)di(2H-1,2,3-triazole-4-carboxylate)Diethyl 5,5'-[pyrazine-2,6-diylbis(azanediyl)]di(2H-1,2,3-triazole-4-carboxylate)
Database identifiers
- CAS
74290-49-6- PubChem CID
- 339185
- DTXSID
DTXSID00320795
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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