Sitagliptin triazecine analog
Properties
- Molecular formula
- C16H13F6N5O2
- Molar mass
- 421.30 g/mol
- Exact mass
- 421.0973 Da
- logP
- 1.58Crippen estimate
- Polar surface area
- 88.9 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
- Stereocentres
- Rin SMILES atom order
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
2088771-61-1SMILES
C1CN2C(=NN=C2C(F)(F)F)C(=O)N[C@@H](CC(=O)N1)CC3=CC(=C(C=C3F)F)FInChIKey
CJUCSNDPMOGZTM-MRVPVSSYSA-NInChI
InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)/t8-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- (R)-10-(2,4,5-Trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-C][1,4,7]triazecine-8,12(5H,9H)-dione
Work with Sitagliptin triazecine analog
Similar compounds
Sitagliptin486460-32-643 % similar
Sitagliptin phosphate654671-78-039 % similar
1-(3-(Trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione764667-65-439 % similar
Sitagliptin phosphate monohydrate654671-77-938 % similar
Sitagliptin deamino impurity 11253056-18-637 % similar
Sitagliptin enamine767340-03-436 % similar
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine486460-21-332 % similar
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride762240-92-630 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds