Chemical ID: 6045439

Cn1c2ccc3c(c2nc1N)nccn3
Chemical ID:
6045439
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1N)nccn3
InChi [?]:
InChI=1/C10H9N5/c1-15-7-3-2-6-8(13-5-4-12-6)9(7)14-10(15)11/h2-5H,1H3,(H2,11,14)
InChi Info:
AuxInfo=1/1/N:1,5,4,14,13,6,3,7,8,10,11,15,12,9,2/rA:15nCNCCCCCCNCNNCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;d7;s12;d13;d6s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.34195
Area:352.359
Solvation:-2.46704
Coulombic:-38.1382
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:199.212
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.72
LogP (Chemaxon):1.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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