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1137476-38-0 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(3-aminopropyl)amino]-2-pyridinyl]amino]-
CAS No: 1137476-38-0 Catalog No: AG0009KN MDL No:
Product Description
Catalog Number:
AG0009KN
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(3-aminopropyl)amino]-2-pyridinyl]amino]-
CAS Number:
1137476-38-0
Molecular Formula:
C13H16N8
Molecular Weight:
284.3197
IUPAC Name:
5-[[5-amino-4-(3-aminopropylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C13H16N8/c14-2-1-3-17-11-4-12(20-7-10(11)16)21-13-8-18-9(5-15)6-19-13/h4,6-8H,1-3,14,16H2,(H2,17,19,20,21)
InChI Key:
DRSNLIAXOITDFE-UHFFFAOYSA-N
SMILES:
NCCCNc1cc(ncc1N)Nc1cnc(cn1)C#N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.15g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
284.327g/mol
Monoisotopic Mass:
284.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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