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1245782-69-7 | [1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester
CAS No: 1245782-69-7 Catalog No: AG000MEL MDL No:MFCD16883061
Product Description
Catalog Number:
AG000MEL
Chemical Name:
[1,2,3]Triazolo[1,5-a]pyrazine-5(4H)-carboxylic acid, 6,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1245782-69-7
Molecular Formula:
C10H16N4O2
Molecular Weight:
224.2596
MDL Number:
MFCD16883061
IUPAC Name:
tert-butyl 6,7-dihydro-4H-triazolo[1,5-a]pyrazine-5-carboxylate
InChI:
InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)13-4-5-14-8(7-13)6-11-12-14/h6H,4-5,7H2,1-3H3
InChI Key:
WJRDRGQJIDIENS-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(C1)cnn2)OC(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.264g/mol
Monoisotopic Mass:
224.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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