Chemical ID: 6420741

Cc1ccn2c(c1)nnc2CCc3nnc4n3ccc(c4)C
Chemical ID:
6420741
Name [?]:
4-methyl-9-[2-(3-methyl-6,8,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-yl)ethyl]-1,7,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccn2c(c1)nnc2CCc3nnc4n3ccc(c4)C
InChi [?]:
InChI=1/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,11,12,3,19,4,18,7,21,2,20,10,13,6,16,9,14,8,15,5,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCNCCNNCCCCNNCNCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d18;s19;s16d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N6
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.88092
Area:494.87
Solvation:-2.49081
Coulombic:-19.5805
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.339
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.16
LogP (Chemaxon):1.5

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Descriptor Annotations

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