Name: 5-tert-butyl-7-(3,3-difluoropyrrolidin-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
SMILES:
CCn1nnc2c(N3CCC(F)(F)C3)nc(C(C)(C)C)nc21Molecular Processing
Molecular formula
C14H20F2N6
Molecular weight
310.35
Exact mass
310.1718
XLogP
2.38
TPSA
59.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
79.27
Supplementary Information
InChIKey: LUNITFXLPRHXSH-UHFFFAOYSA-N
Synonyme
5-tert-Butyl-7-(3,3-difluoro-pyrrolidin-1-yl)-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidineSCHEMBL14911402
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