Home Nitriles 3-amino-5-methyl-1H-indazole-6-carbonitrile

3-amino-5-methyl-1H-indazole-6-carbonitrile

CAS No.:
368426-68-0
Catalog Number:
AG01C5OQ
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
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Product Description
Catalog Number:
AG01C5OQ
Chemical Name:
3-amino-5-methyl-1H-indazole-6-carbonitrile
CAS Number:
368426-68-0
Molecular Formula:
C9H8N4
Molecular Weight:
172.1866
MDL Number:
MFCD20719685
IUPAC Name:
3-amino-5-methyl-1H-indazole-6-carbonitrile
InChI:
InChI=1S/C9H8N4/c1-5-2-7-8(3-6(5)4-10)12-13-9(7)11/h2-3H,1H3,(H3,11,12,13)
InChI Key:
CUWIUXQSIYHOET-UHFFFAOYSA-N
SMILES:
N#Cc1cc2[nH]nc(c2cc1C)N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.191g/mol
Monoisotopic Mass:
172.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties