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1137475-62-7 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(2-aminoethyl)amino]-2-pyridinyl]amino]-
CAS No: 1137475-62-7 Catalog No: AG0009JT MDL No:
Product Description
Catalog Number:
AG0009JT
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(2-aminoethyl)amino]-2-pyridinyl]amino]-
CAS Number:
1137475-62-7
Molecular Formula:
C12H14N8
Molecular Weight:
270.2932
IUPAC Name:
5-[[5-amino-4-(2-aminoethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C12H14N8/c13-1-2-16-10-3-11(19-6-9(10)15)20-12-7-17-8(4-14)5-18-12/h3,5-7H,1-2,13,15H2,(H2,16,18,19,20)
InChI Key:
BOJRSQFDMHIPTI-UHFFFAOYSA-N
SMILES:
NCCNc1cc(ncc1N)Nc1cnc(cn1)C#N
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
270.3g/mol
Monoisotopic Mass:
270.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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