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Autophagy-IN-7

CAT: 0127-BUP22126-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP22126-01Size:5 mg
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CAS Number
324031-29-0
Purity
=98%
Smiles
N1=NC2=C(N=C1NN=CC3=NC=CC=C3)NC4=CC=CC=C24

Chemical Information

Autophagy-IN-7
CAS Number324031-29-0
PubChem CID9591491
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Molecular FormulaC15H11N7
Molecular Weight289.29
XLogP2.3
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity401
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)N/N=C/C4=CC=CC=N4
InChI
InChI=1S/C15H11N7/c1-2-7-12-11(6-1)13-14(18-12)19-15(22-20-13)21-17-9-10-5-3-4-8-16-10/h1-9H,(H2,18,19,21,22)/b17-9+
InChIKey
ONGVWUJNJJKTFU-RQZCQDPDSA-N
Chemical Structure
2D Structure
2D structure of Autophagy-IN-7
CAS: 324031-29-0
CID: 9591491
Formula: C15H11N7
MW: 289.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight289.29
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass289.10759338
Monoisotopic Mass289.10759338
Topological Polar Surface Area91.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes