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Home > Imidazoles > 85817-81-8
85817-81-8 | 3,3,8-TRIMETHYLHEXAHYDROIMIDAZO[1,5-A]PYRAZIN-1(5H)-ONE
CAS No: 85817-81-8 Catalog No: AG004RBT MDL No:
Product Description
Catalog Number:
AG004RBT
Chemical Name:
3,3,8-TRIMETHYLHEXAHYDROIMIDAZO[1,5-A]PYRAZIN-1(5H)-ONE
CAS Number:
85817-81-8
Molecular Formula:
C9H17N3O
Molecular Weight:
183.2508
IUPAC Name:
3,3,8-trimethyl-2,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-1-one
InChI:
InChI=1S/C9H17N3O/c1-6-7-8(13)11-9(2,3)12(7)5-4-10-6/h6-7,10H,4-5H2,1-3H3,(H,11,13)
InChI Key:
MAVYFDQFODQBNV-UHFFFAOYSA-N
SMILES:
CC1NCCN2C1C(=O)NC2(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.255g/mol
Monoisotopic Mass:
183.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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