Home Halogens 7-chloro-3-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

7-chloro-3-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine

CAS No.:
1538078-22-6
Catalog Number:
AG01ELG9
Molecular Formula:
C7H6ClN5
Molecular Weight:
195.6090
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Product Description
Catalog Number:
AG01ELG9
Chemical Name:
7-chloro-3-cyclopropyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CAS Number:
1538078-22-6
Molecular Formula:
C7H6ClN5
Molecular Weight:
195.6090
MDL Number:
MFCD31615599
IUPAC Name:
7-chloro-3-cyclopropyltriazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C7H6ClN5/c8-6-5-7(10-3-9-6)13(12-11-5)4-1-2-4/h3-4H,1-2H2
InChI Key:
DOVWOFOGFMANAT-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1nnn2C1CC1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.61g/mol
Monoisotopic Mass:
195.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties