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LC 6

CAT: 0013-GTR19199031-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199031-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LC 6
CAS Number
66818-22-2
Smiles
[C@]12 ([C@] (C=3C (CC1) =CNN3) (CCC=4C2=NNC4) [H]) [H]
Molecular Formula
C12H14N4
Molecular Weight
214.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Naphtho(1,2-c:5,6-c')dipyrazole, 2,3b,4,5,7,8b,9,10-Octahydro-, trans-
CAS Number66818-22-2
PubChem CID106696
IUPAC Name(3bS,8bR)-3,3b,4,5,8,8b,9,10-octahydroindazolo[7,6-g]indazole
Molecular FormulaC12H14N4
Molecular Weight214.27
XLogP1.2
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity254
SMILES
C1CC2=C([C@@H]3[C@@H]1C4=C(CC3)C=NN4)NN=C2
InChI
InChI=1S/C12H14N4/c1-3-9-10(11-7(1)5-13-15-11)4-2-8-6-14-16-12(8)9/h5-6,9-10H,1-4H2,(H,13,15)(H,14,16)/t9-,10+
InChIKey
RTMZVYUACSCNRL-AOOOYVTPSA-N
Chemical Structure
2D Structure
2D structure of Naphtho(1,2-c:5,6-c')dipyrazole, 2,3b,4,5,7,8b,9,10-Octahydro-, trans-
CAS: 66818-22-2
CID: 106696
Formula: C12H14N4
MW: 214.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.27
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass214.121846464
Monoisotopic Mass214.121846464
Topological Polar Surface Area57.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity254
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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