tert-butyl 3-{6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl}pyrrolidine-1-carboxylate

tert-butyl 3-{6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl}pyrrolidine-1-carboxylate

CAS: 2177264-17-2

Formula: C15H19BrN4O2

SMILES: CC(C)(C)OC(=O)N1CCC(C1)C1=NN2C=C(Br)C=CC2=N1

IUPAC: tert-butyl 3-{6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl}pyrrolidine-1-carboxylate

InChI: InChI=1/C15H19BrN4O2/c1-15(2,3)22-14(21)19-7-6-10(8-19)13-17-12-5-4-11(16)9-20(12)18-13/h4-5,9-10H,6-8H2,1-3H3

Composition: C (49.06%), H (5.22%), Br (21.76%), N (15.26%), O (8.71%)

Molar Mass: 367.247

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	366.069139
Formal Charge	0
FSP3	0.53
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MTAGOQUMDDZVRP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.67
Topological Polar Surface Area	59.73
Polarizability	33.02
Ring Count	3
Rotatable Bond Count	3

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