Chemical ID: 3918334

CC(C)Nc1c(nc2n1cccc2)c3ccccc3
Chemical ID:
3918334
Name [?]:
N-isopropyl-8-phenyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)Nc1c(nc2n1cccc2)c3ccccc3
InChi [?]:
InChI=1/C16H17N3/c1-12(2)17-16-15(13-8-4-3-5-9-13)18-14-10-6-7-11-19(14)16/h3-12,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,16,18,12,11,15,19,13,10,2,14,8,6,5,4,7,9/E:(1,2)(4,5)(8,9)/rA:19nCCCNCCNCNCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s9;d10;s11;s8d12;s6;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.2296
Area:436.379
Solvation:-1.67987
Coulombic:-25.8158
Bond Count [?]
All:21
Single:14
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.326
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.96
LogP (Chemaxon):3.7

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Descriptor Annotations

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