Home Carboxys [1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

CAS No.:
2092083-38-8
Catalog Number:
AG01EB6T
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
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Product Description
Catalog Number:
AG01EB6T
Chemical Name:
[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CAS Number:
2092083-38-8
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
MDL Number:
MFCD30631815
IUPAC Name:
[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C6H4N4O2/c11-6(12)4-2-10-3-8-9-5(10)1-7-4/h1-3H,(H,11,12)
InChI Key:
PFCVZYISBYKQSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncc2n(c1)cnn2
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties