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10,12-bis(prop-2-en-1-yl)-4,5,6,10,12-pentaazatricyclo[7.3.0.0³,?]dodeca-1,3(7),4,8-tetraen-11-one

10,12-bis(prop-2-en-1-yl)-4,5,6,10,12-pentaazatricyclo[7.3.0.0³,?]dodeca-1,3(7),4,8-tetraen-11-one

Formula: C13H13N5O

SMILES: C=CCN1C(=O)N(CC=C)C2=CC3=C(NN=N3)C=C12

IUPAC: 10,12-bis(prop-2-en-1-yl)-4,5,6,10,12-pentaazatricyclo[7.3.0.0³,?]dodeca-1,3(7),4,8-tetraen-11-one

InChI: InChI=1S/C13H13N5O/c1-3-5-17-11-7-9-10(15-16-14-9)8-12(11)18(6-4-2)13(17)19/h3-4,7-8H,1-2,5-6H2,(H,14,15,16)

Composition: C (61.17%), H (5.13%), N (27.43%), O (6.27%)

Molar Mass: 255.281

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 255.112010059
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UOYYTMZPIQVOGC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.55
Topological Polar Surface Area 65.12
Polarizability 27.76
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H13N5O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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