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1137475-64-9 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-(4-piperidinylamino)-2-pyridinyl]amino]-
CAS No: 1137475-64-9 Catalog No: AG0009JR MDL No:
Product Description
Catalog Number:
AG0009JR
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-(4-piperidinylamino)-2-pyridinyl]amino]-
CAS Number:
1137475-64-9
Molecular Formula:
C15H18N8
Molecular Weight:
310.3570
IUPAC Name:
5-[[5-amino-4-(piperidin-4-ylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C15H18N8/c16-6-11-7-20-15(9-19-11)23-14-5-13(12(17)8-21-14)22-10-1-3-18-4-2-10/h5,7-10,18H,1-4,17H2,(H2,20,21,22,23)
InChI Key:
IMSFWGDPEQXDQA-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC1CCNCC1)N
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.165g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
310.365g/mol
Monoisotopic Mass:
310.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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