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1137476-36-8 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(3-piperidinylmethyl)amino]-2-pyridinyl]amino]-
CAS No: 1137476-36-8 Catalog No: AG0009KO MDL No:
Product Description
Catalog Number:
AG0009KO
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-[(3-piperidinylmethyl)amino]-2-pyridinyl]amino]-
CAS Number:
1137476-36-8
Molecular Formula:
C16H20N8
Molecular Weight:
324.3836
IUPAC Name:
5-[[5-amino-4-(piperidin-3-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H20N8/c17-5-12-8-22-16(10-20-12)24-15-4-14(13(18)9-23-15)21-7-11-2-1-3-19-6-11/h4,8-11,19H,1-3,6-7,18H2,(H2,21,22,23,24)
InChI Key:
FICDGXNPBOQNHW-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NCC1CCCNC1)N
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.181g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
324.392g/mol
Monoisotopic Mass:
324.181g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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