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1404530-63-7 | 1-Butanone, 1-[1-(5-amino-2-pyrazinyl)-5-methyl-1H-pyrazol-4-yl]-
CAS No: 1404530-63-7 Catalog No: AG001CGN MDL No:
Product Description
Catalog Number:
AG001CGN
Chemical Name:
1-Butanone, 1-[1-(5-amino-2-pyrazinyl)-5-methyl-1H-pyrazol-4-yl]-
CAS Number:
1404530-63-7
Molecular Formula:
C12H15N5O
Molecular Weight:
245.2804
IUPAC Name:
1-[1-(5-aminopyrazin-2-yl)-5-methylpyrazol-4-yl]butan-1-one
InChI:
InChI=1S/C12H15N5O/c1-3-4-10(18)9-5-16-17(8(9)2)12-7-14-11(13)6-15-12/h5-7H,3-4H2,1-2H3,(H2,13,14)
InChI Key:
IICJTEWPHMZXLH-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cnn(c1C)c1cnc(cn1)N
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.128g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.286g/mol
Monoisotopic Mass:
245.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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