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1137475-61-6 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-(methylamino)-2-pyridinyl]amino]-
CAS No: 1137475-61-6 Catalog No: AG0009JU MDL No:
Product Description
Catalog Number:
AG0009JU
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-(methylamino)-2-pyridinyl]amino]-
CAS Number:
1137475-61-6
Molecular Formula:
C11H11N7
Molecular Weight:
241.2519
IUPAC Name:
5-[[5-amino-4-(methylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C11H11N7/c1-14-9-2-10(17-5-8(9)13)18-11-6-15-7(3-12)4-16-11/h2,4-6H,13H2,1H3,(H2,14,16,17,18)
InChI Key:
BCOAZQZWGJZXQC-UHFFFAOYSA-N
SMILES:
CNc1cc(ncc1N)Nc1cnc(cn1)C#N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.108g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.258g/mol
Monoisotopic Mass:
241.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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