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1216669-25-8 | 3-Amino-6-(1H-imidazol-1-yl)pyridine-2-carbonitrile
CAS No: 1216669-25-8 Catalog No: AG01F8P6 MDL No:
Product Description
Catalog Number:
AG01F8P6
Chemical Name:
3-Amino-6-(1H-imidazol-1-yl)pyridine-2-carbonitrile
CAS Number:
1216669-25-8
Molecular Formula:
C9H7N5
Molecular Weight:
185.1854
IUPAC Name:
3-amino-6-imidazol-1-ylpyridine-2-carbonitrile
InChI:
InChI=1S/C9H7N5/c10-5-8-7(11)1-2-9(13-8)14-4-3-12-6-14/h1-4,6H,11H2
InChI Key:
SXDMBTXBVQTNCP-UHFFFAOYSA-N
SMILES:
N#Cc1nc(ccc1N)n1cncc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.19g/mol
Monoisotopic Mass:
185.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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