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Home > Imidazoles > 85817-78-3
85817-78-3 | 2,3,3-TRIMETHYLHEXAHYDROIMIDAZO[1,5-A]PYRAZIN-1(5H)-ONE
CAS No: 85817-78-3 Catalog No: AG004XEL MDL No:
Product Description
Catalog Number:
AG004XEL
Chemical Name:
2,3,3-TRIMETHYLHEXAHYDROIMIDAZO[1,5-A]PYRAZIN-1(5H)-ONE
CAS Number:
85817-78-3
Molecular Formula:
C9H17N3O
Molecular Weight:
183.2508
IUPAC Name:
2,3,3-trimethyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-1-one
InChI:
InChI=1S/C9H17N3O/c1-9(2)11(3)8(13)7-6-10-4-5-12(7)9/h7,10H,4-6H2,1-3H3
InChI Key:
IZGUHRCEPHBPJO-UHFFFAOYSA-N
SMILES:
O=C1C2CNCCN2C(N1C)(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:
1
Isotope Atom Count:
0
Molecular Weight:
183.255g/mol
Monoisotopic Mass:
183.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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