Home Nitriles 2-aminoquinazoline-6-carbonitrile

2-aminoquinazoline-6-carbonitrile

CAS No.:
1131604-81-3
Catalog Number:
AG009249
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
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Product Description
Catalog Number:
AG009249
Chemical Name:
2-aminoquinazoline-6-carbonitrile
CAS Number:
1131604-81-3
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD11109840
IUPAC Name:
2-aminoquinazoline-6-carbonitrile
InChI:
InChI=1S/C9H6N4/c10-4-6-1-2-8-7(3-6)5-12-9(11)13-8/h1-3,5H,(H2,11,12,13)
InChI Key:
FWPZFWVGDNVXFV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cnc(n2)N
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties