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1017789-08-0 | 1,2,4-Triazolo[4,3-a]pyrimidine-3-carboxylic acid, 5,7-dimethyl-, ethyl ester
CAS No: 1017789-08-0 Catalog No: AG0005J5 MDL No:
Product Description
Catalog Number:
AG0005J5
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrimidine-3-carboxylic acid, 5,7-dimethyl-, ethyl ester
CAS Number:
1017789-08-0
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
IUPAC Name:
ethyl 5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C10H12N4O2/c1-4-16-9(15)8-12-13-10-11-6(2)5-7(3)14(8)10/h5H,4H2,1-3H3
InChI Key:
MRCMKFLGFPZKKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nnc2n1c(C)cc(n2)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.232g/mol
Monoisotopic Mass:
220.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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