Home Aminos 2-(5-amino-4-cyano-1H-pyrazol-1-yl)acetic acid

2-(5-amino-4-cyano-1H-pyrazol-1-yl)acetic acid

CAS No.:
1340123-45-6
Catalog Number:
AG01ADKV
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
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Product Description
Catalog Number:
AG01ADKV
Chemical Name:
2-(5-amino-4-cyano-1H-pyrazol-1-yl)acetic acid
CAS Number:
1340123-45-6
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD18307165
IUPAC Name:
2-(5-amino-4-cyanopyrazol-1-yl)acetic acid
InChI:
InChI=1S/C6H6N4O2/c7-1-4-2-9-10(6(4)8)3-5(11)12/h2H,3,8H2,(H,11,12)
InChI Key:
NTZWEJVVSHMYJV-UHFFFAOYSA-N
SMILES:
Nc1c(cnn1CC(=O)O)C#N
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties