Chemical ID: 7284393

Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
Chemical ID:
7284393
Name [?]:
4-methyl-8-[(5-phenyltetrazol-2-yl)methyl]-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
InChi [?]:
InChI=1/C16H14N6/c1-12-7-8-15-17-14(10-21(15)9-12)11-22-19-16(18-20-22)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,3,4,10,8,11,2,17,7,5,14,6,15,13,16,9,12/E:(3,4)(5,6)/rA:22nCCCCCNCCNCCNNCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s7;s11;s12;d13;s14;s12d15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N6
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.62573
Area:494.208
Solvation:-2.72948
Coulombic:-17.1538
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.323
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.05
LogP (Chemaxon):3.25

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