Chemical ID: 6046990

Cn1c2ccc3c(c2nc1N(C)C)cccn3
Chemical ID:
6046990
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1N(C)C)cccn3
InChi [?]:
InChI=1/C13H14N4/c1-16(2)13-15-12-9-5-4-8-14-10(9)6-7-11(12)17(13)3/h4-8H,1-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,15,14,5,4,16,7,6,3,8,10,17,9,11,2/E:(1,2)/rA:17nCNCCCCCCNCNCCCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;s11;s11;d7;s14;d15;d6s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.67235
Area:392.095
Solvation:-2.13003
Coulombic:-24.4367
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:226.277
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.42
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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