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4-(furan-2-yl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0²,?]dodeca-1,3,7,9,11-pentaen-7-amine

4-(furan-2-yl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0²,?]dodeca-1,3,7,9,11-pentaen-7-amine

CAS: 162401-16-3

Formula: C10H7N7O

SMILES: NC1=NC2=NN=CC2=C2N=C(NN12)C1=CC=CO1

IUPAC: 4-(furan-2-yl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0²,?]dodeca-1,3,7,9,11-pentaen-7-amine

InChI: InChI=1S/C10H7N7O/c11-10-14-7-5(4-12-15-7)9-13-8(16-17(9)10)6-2-1-3-18-6/h1-4H,(H,13,16)(H2,11,14,15)

Composition: C (49.79%), H (2.93%), N (40.65%), O (6.63%)

Molar Mass: 241.214

Atom Count: 25

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 241.071207873
Formal Charge 0
FSP3 0
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HLDVCMVQERFUKO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.65
Topological Polar Surface Area 110.92
Polarizability 23.51
Ring Count 4
Rotatable Bond Count 1

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