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1137475-63-8 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-[[2-(dimethylamino)ethyl]amino]-2-pyridinyl]amino]-
CAS No: 1137475-63-8 Catalog No: AG0009JS MDL No:
Product Description
Catalog Number:
AG0009JS
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-[[2-(dimethylamino)ethyl]amino]-2-pyridinyl]amino]-
CAS Number:
1137475-63-8
Molecular Formula:
C14H18N8
Molecular Weight:
298.3463
IUPAC Name:
5-[[5-amino-4-[2-(dimethylamino)ethylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C14H18N8/c1-22(2)4-3-17-12-5-13(20-8-11(12)16)21-14-9-18-10(6-15)7-19-14/h5,7-9H,3-4,16H2,1-2H3,(H2,17,19,20,21)
InChI Key:
YXZPTTJDOPURBJ-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NCCN(C)C)N
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.165g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
298.354g/mol
Monoisotopic Mass:
298.165g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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