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144888-68-6 | 1,2,4-Triazolo[4,3-a]pyrazine-6-carboxylic acid, 2,3,5,6,7,8-hexahydro-3-oxo-
CAS No: 144888-68-6 Catalog No: AG001KAO MDL No:
Product Description
Catalog Number:
AG001KAO
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine-6-carboxylic acid, 2,3,5,6,7,8-hexahydro-3-oxo-
CAS Number:
144888-68-6
Molecular Formula:
C6H8N4O3
Molecular Weight:
184.1527
IUPAC Name:
3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C6H8N4O3/c11-5(12)3-2-10-4(1-7-3)8-9-6(10)13/h3,7H,1-2H2,(H,9,13)(H,11,12)
InChI Key:
RVABGCUDEVAWPY-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCc2n(C1)c(=O)[nH]n2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
184.155g/mol
Monoisotopic Mass:
184.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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