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17050-81-6 | 3H-1,2,3-Triazolo[4,5-d]pyrimidine, 3-cyclopentyl-7-iodo-
CAS No: 17050-81-6 Catalog No: AG0078R2 MDL No:
Product Description
Catalog Number:
AG0078R2
Chemical Name:
3H-1,2,3-Triazolo[4,5-d]pyrimidine, 3-cyclopentyl-7-iodo-
CAS Number:
17050-81-6
Molecular Formula:
C9H10IN5
Molecular Weight:
315.1137
IUPAC Name:
3-cyclopentyl-7-iodotriazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C9H10IN5/c10-8-7-9(12-5-11-8)15(14-13-7)6-3-1-2-4-6/h5-6H,1-4H2
InChI Key:
QEULEYZNAVBRFC-UHFFFAOYSA-N
SMILES:
Ic1ncnc2c1nnn2C1CCCC1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.998g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.118g/mol
Monoisotopic Mass:
314.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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