Chemical ID: 4685154

c1ccc2c(c1)nnn2C3CCCC4N3CCn5c4ccc5
Chemical ID:
4685154
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nnn2C3CCCC4N3CCn5c4ccc5
InChi [?]:
InChI=1/C17H19N5/c1-2-6-14-13(5-1)18-19-22(14)17-9-3-7-16-15-8-4-10-20(15)11-12-21(16)17/h1-2,4-6,8,10,16-17H,3,7,9,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,12,21,6,3,13,20,11,22,17,16,5,4,19,14,10,7,8,18,15,9/rA:22cCCCCCCNNNCCCCCNCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;s12;s13;s10s14;s15;s16;s17;s14s18;d19;s20;s18d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:8.78198
Area:448.388
Solvation:-2.42772
Coulombic:-15.9187
Bond Count [?]
All:26
Single:20
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.366
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.55
LogP (Chemaxon):3.01

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Experimental Annotations

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Descriptor Annotations

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