Home Halogens 5-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

5-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

CAS No.:
193884-00-3
Catalog Number:
AG01ELDF
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
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Product Description
Catalog Number:
AG01ELDF
Chemical Name:
5-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number:
193884-00-3
Molecular Formula:
C9H11ClN4
Molecular Weight:
210.6634
IUPAC Name:
5-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C9H11ClN4/c1-2-3-4-7-5-8(10)14-9(13-7)11-6-12-14/h5-6H,2-4H2,1H3
InChI Key:
FNJPIUDSURIRLU-UHFFFAOYSA-N
SMILES:
CCCCc1cc(Cl)n2c(n1)ncn2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.665g/mol
Monoisotopic Mass:
210.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties