Home Halogens 7-chloro-3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine

CAS No.:
1094292-91-7
Catalog Number:
AG01A0G6
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
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Product Description
Catalog Number:
AG01A0G6
Chemical Name:
7-chloro-3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CAS Number:
1094292-91-7
Molecular Formula:
C6H5ClN4
Molecular Weight:
168.5837
MDL Number:
MFCD11182612
IUPAC Name:
7-chloro-3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
InChI:
InChI=1S/C6H5ClN4/c1-4-9-10-6-2-5(7)8-3-11(4)6/h2-3H,1H3
InChI Key:
XJWSLWOAOAPLRC-UHFFFAOYSA-N
SMILES:
Clc1ncn2c(c1)nnc2C
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.584g/mol
Monoisotopic Mass:
168.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties