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1174069-03-4 | 1,2,4-Triazolo[4,3-a]pyrazine-7(8H)-carboxylic acid, 3-formyl-5,6-dihydro-, 1,1-dimethylethyl ester
CAS No: 1174069-03-4 Catalog No: AG000E9L MDL No:MFCD23135795
Product Description
Catalog Number:
AG000E9L
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine-7(8H)-carboxylic acid, 3-formyl-5,6-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1174069-03-4
Molecular Formula:
C11H16N4O3
Molecular Weight:
252.2697
MDL Number:
MFCD23135795
IUPAC Name:
tert-butyl 3-formyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
InChI:
InChI=1S/C11H16N4O3/c1-11(2,3)18-10(17)14-4-5-15-8(6-14)12-13-9(15)7-16/h7H,4-6H2,1-3H3
InChI Key:
SURBHXJZUCWWOG-UHFFFAOYSA-N
SMILES:
O=Cc1nnc2n1CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.274g/mol
Monoisotopic Mass:
252.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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