Chemical ID: 5151570

CC(C)n1c(=Nc2ccccc2)c3ccccc3nn1
Chemical ID:
5151570
Name [?]:
9-isopropyl-N-phenyl-7,8,9-triazabicyclo[4.4.0]deca-2,4,7,11-tetraen-10-imine
SMILES [?]:
CC(C)n1c(=Nc2ccccc2)c3ccccc3nn1
InChi [?]:
InChI=1/C16H16N4/c1-12(2)20-16(17-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-19-20/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,10,9,11,15,16,8,12,14,17,2,7,13,18,5,6,19,20,4/E:(1,2)(4,5)(8,9)/rA:20nCCCNCNCCCCCCCCCCCCNN/rB:s1;s2;s2;s4;w5;s6;s7;d8;s9;d10;d7s11;s5;s13;d14;s15;d16;d13s17;s18;s4d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.07535
Area:427.12
Solvation:-1.60263
Coulombic:-13.3355
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:264.325
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.5
LogP (Chemaxon):3.86

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Descriptor Annotations

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