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1137476-42-6 | 2-Pyrazinecarbonitrile, 5-[[5-amino-4-(cyclohexylamino)-2-pyridinyl]amino]-
CAS No: 1137476-42-6 Catalog No: AG0009KM MDL No:
Product Description
Catalog Number:
AG0009KM
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-amino-4-(cyclohexylamino)-2-pyridinyl]amino]-
CAS Number:
1137476-42-6
Molecular Formula:
C16H19N7
Molecular Weight:
309.3690
IUPAC Name:
5-[[5-amino-4-(cyclohexylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C16H19N7/c17-7-12-8-20-16(10-19-12)23-15-6-14(13(18)9-21-15)22-11-4-2-1-3-5-11/h6,8-11H,1-5,18H2,(H2,20,21,22,23)
InChI Key:
KEVSIAPRHSSKNM-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)NC1CCCCC1)N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.17g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.377g/mol
Monoisotopic Mass:
309.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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