chempirical

Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine-3-carboxylate

C8H12N4O2CAS 723286-68-8196.21 g/mol

Open in Covalent MOL file
OONNNHN
EsterSecondary amine

Properties

Molecular formula
C8H12N4O2
Molar mass
196.21 g/mol
Exact mass
196.0960 Da
logP
-0.44Crippen estimate
Polar surface area
69.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
723286-68-8
SMILES
CCOC(=O)C1=NN=C2N1CCNC2
InChIKey
LTINTLJABVYOMC-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N4O2/c1-2-14-8(13)7-11-10-6-5-9-3-4-12(6)7/h9H,2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate91476-82-354 % similar Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate137156-41-340 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-140 % similar 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine486460-21-339 % similar 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride762240-92-637 % similar Ethyl tetrazole-5-carboxylate55408-10-136 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-436 % similar Diethyl terephthalate636-09-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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