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

3-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile

CAS No.:
98035-87-1
Catalog Number:
AG01AK28
Molecular Formula:
C6H8N4O
Molecular Weight:
152.1539
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Product Description
Catalog Number:
AG01AK28
Chemical Name:
3-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
CAS Number:
98035-87-1
Molecular Formula:
C6H8N4O
Molecular Weight:
152.1539
MDL Number:
MFCD18809649
IUPAC Name:
3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C6H8N4O/c7-3-5-4-10(1-2-11)9-6(5)8/h4,11H,1-2H2,(H2,8,9)
InChI Key:
NJSHYZTVFYAKDL-UHFFFAOYSA-N
SMILES:
OCCn1nc(c(c1)C#N)N
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.07g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
152.157g/mol
Monoisotopic Mass:
152.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties