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1353977-03-3 | 2-Isopropylamino-1-pyrazin-2-yl-ethanone
CAS No: 1353977-03-3 Catalog No: AG01FBZ3 MDL No:
Product Description
Catalog Number:
AG01FBZ3
Chemical Name:
2-Isopropylamino-1-pyrazin-2-yl-ethanone
CAS Number:
1353977-03-3
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
IUPAC Name:
2-(propan-2-ylamino)-1-pyrazin-2-ylethanone
InChI:
InChI=1S/C9H13N3O/c1-7(2)12-6-9(13)8-5-10-3-4-11-8/h3-5,7,12H,6H2,1-2H3
InChI Key:
IRZHCDYFQTWGNN-UHFFFAOYSA-N
SMILES:
CC(NCC(=O)c1nccnc1)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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