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82447-91-4 | 1,6-Naphthyridine-8-carbonitrile, 7-amino-1,2,3,4-tetrahydro-
CAS No: 82447-91-4 Catalog No: AG0050Q4 MDL No:
Product Description
Catalog Number:
AG0050Q4
Chemical Name:
1,6-Naphthyridine-8-carbonitrile, 7-amino-1,2,3,4-tetrahydro-
CAS Number:
82447-91-4
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
IUPAC Name:
7-amino-1,2,3,4-tetrahydro-1,6-naphthyridine-8-carbonitrile
InChI:
InChI=1S/C9H10N4/c10-4-7-8-6(2-1-3-12-8)5-13-9(7)11/h5,12H,1-3H2,(H2,11,13)
InChI Key:
WRXYOMOXTUCWLQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)ncc2c1NCCC2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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