Home Halogens 7-chloro-5-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

CAS No.:
926259-65-6
Catalog Number:
AG019VWA
Molecular Formula:
C8H9ClN4
Molecular Weight:
196.6369
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Product Description
Catalog Number:
AG019VWA
Chemical Name:
7-chloro-5-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number:
926259-65-6
Molecular Formula:
C8H9ClN4
Molecular Weight:
196.6369
MDL Number:
MFCD09041232
IUPAC Name:
7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C8H9ClN4/c1-5(2)6-3-7(9)13-8(12-6)10-4-11-13/h3-5H,1-2H3
InChI Key:
ZOHISTHIFGDJGS-UHFFFAOYSA-N
SMILES:
CC(c1cc(Cl)n2c(n1)ncn2)C
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.638g/mol
Monoisotopic Mass:
196.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties