Home Halogens 6-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

6-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol

CAS No.:
171618-77-2
Catalog Number:
AG01A61P
Molecular Formula:
C8H9ClN4O
Molecular Weight:
212.6363
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Product Description
Catalog Number:
AG01A61P
Chemical Name:
6-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CAS Number:
171618-77-2
Molecular Formula:
C8H9ClN4O
Molecular Weight:
212.6363
MDL Number:
MFCD24463728
IUPAC Name:
6-(2-chloroethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C8H9ClN4O/c1-5-6(2-3-9)7(14)13-8(12-5)10-4-11-13/h4H,2-3H2,1H3,(H,10,11,12)
InChI Key:
NKEJETGTPDKPPY-UHFFFAOYSA-N
SMILES:
ClCCc1c(C)nc2n(c1O)ncn2
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.637g/mol
Monoisotopic Mass:
212.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties