N-Nitroso-Praziquanamine

CAT: 1299-RM-P182115-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P182115-01Size:10 mg

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CAS Number

115822-46-3

Synonyms

2-nitroso-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

Molecular Formula

C12H13N3O2

Molecular Weight

231.26

Product Name Synonym

2-nitroso-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

Chemical Information

N-Nitroso-Praziquanamine

CAS Number	115822-46-3
PubChem CID	176486845
IUPAC Name	2-nitroso-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Molecular Formula	C12H13N3O2
Molecular Weight	231.25
XLogP	1.1
Topological Polar Surface Area	53
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	334

SMILES

C1CN2C(CN(CC2=O)N=O)C3=CC=CC=C31

InChI

InChI=1S/C12H13N3O2/c16-12-8-14(13-17)7-11-10-4-2-1-3-9(10)5-6-15(11)12/h1-4,11H,5-8H2

InChIKey

INYVTFFLEIVFBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 115822-46-3

CID: 176486845

Formula: C12H13N3O2

MW: 231.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.25
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	231.100776666
Monoisotopic Mass	231.100776666
Topological Polar Surface Area	53 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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