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114040-29-8 | [1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 5,7-dimethyl-, ethyl ester
CAS No: 114040-29-8 Catalog No: AG000ADK MDL No:MFCD03659569
Product Description
Catalog Number:
AG000ADK
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 5,7-dimethyl-, ethyl ester
CAS Number:
114040-29-8
Molecular Formula:
C10H12N4O2
Molecular Weight:
220.2279
MDL Number:
MFCD03659569
IUPAC Name:
ethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
InChI:
InChI=1S/C10H12N4O2/c1-4-16-9(15)8-12-10-11-6(2)5-7(3)14(10)13-8/h5H,4H2,1-3H3
InChI Key:
XAUUKECCWYKGRX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn2c(n1)nc(cc2C)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:
1.5
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