Home Carboxys 5-(1H-pyrazol-1-yl)pyrazine-2-carboxylic acid

5-(1H-pyrazol-1-yl)pyrazine-2-carboxylic acid

CAS No.:
1263378-08-0
Catalog Number:
AG01A03L
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
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Product Description
Catalog Number:
AG01A03L
Chemical Name:
5-(1H-pyrazol-1-yl)pyrazine-2-carboxylic acid
CAS Number:
1263378-08-0
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD18432597
IUPAC Name:
5-pyrazol-1-ylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C8H6N4O2/c13-8(14)6-4-10-7(5-9-6)12-3-1-2-11-12/h1-5H,(H,13,14)
InChI Key:
JGHABWDDTUCPLW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(cn1)n1cccn1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties