Home Nitriles 5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile

5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile

CAS No.:
117889-76-6
Catalog Number:
AG01EMFF
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
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Product Description
Catalog Number:
AG01EMFF
Chemical Name:
5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile
CAS Number:
117889-76-6
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
MDL Number:
MFCD16620064
IUPAC Name:
5-amino-3-(2-hydroxyethoxy)-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C6H8N4O2/c7-3-4-5(8)9-10-6(4)12-2-1-11/h11H,1-2H2,(H3,8,9,10)
InChI Key:
OFVVLLBVZJIOST-UHFFFAOYSA-N
SMILES:
Nc1c(C#N)c(n[nH]1)OCCO
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
168.156g/mol
Monoisotopic Mass:
168.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties