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1137476-13-1 | 2-Pyrazinecarbonitrile, 5-[[5-chloro-4-(4-morpholinyl)-2-pyridinyl]amino]-
CAS No: 1137476-13-1 Catalog No: AG0009JK MDL No:
Product Description
Catalog Number:
AG0009JK
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[5-chloro-4-(4-morpholinyl)-2-pyridinyl]amino]-
CAS Number:
1137476-13-1
Molecular Formula:
C14H13ClN6O
Molecular Weight:
316.7456
IUPAC Name:
5-[(5-chloro-4-morpholin-4-ylpyridin-2-yl)amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C14H13ClN6O/c15-11-8-19-13(5-12(11)21-1-3-22-4-2-21)20-14-9-17-10(6-16)7-18-14/h5,7-9H,1-4H2,(H,18,19,20)
InChI Key:
GBMZNQWVMHWDHY-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)N1CCOCC1)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.749g/mol
Monoisotopic Mass:
316.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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