Home Halogens 7-chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine

7-chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine

CAS No.:
21323-71-7
Catalog Number:
AG00BHKL
Molecular Formula:
C5H4ClN5
Molecular Weight:
169.5718
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Product Description
Catalog Number:
AG00BHKL
Chemical Name:
7-chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
CAS Number:
21323-71-7
Molecular Formula:
C5H4ClN5
Molecular Weight:
169.5718
MDL Number:
MFCD07644656
IUPAC Name:
7-chloro-3-methyltriazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C5H4ClN5/c1-11-5-3(9-10-11)4(6)7-2-8-5/h2H,1H3
InChI Key:
DRLGKTNNLQRDHQ-UHFFFAOYSA-N
SMILES:
Cn1nnc2c1ncnc2Cl
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.016g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.572g/mol
Monoisotopic Mass:
169.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties