Chemical ID: 7221469

Cn1c(ccn1)c2nc3c4ccccc4ncn3n2
Chemical ID:
7221469
Name [?]:
None
SMILES [?]:
Cn1c(ccn1)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C13H10N6/c1-18-11(6-7-15-18)12-16-13-9-4-2-3-5-10(9)14-8-19(13)17-12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,4,5,17,10,15,3,7,9,16,6,8,19,2,18/rA:19nCNCCCNCNCCCCCCCNCNN/rB:s1;s2;d3;s4;s2d5;s3;s7;d8;s9;s10;d11;s12;d13;d10s14;s15;d16;s9s17;d7s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N6
All Atoms:29
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.08654
Area:417.792
Solvation:-2.35827
Coulombic:-22.4503
Bond Count [?]
All:22
Single:14
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:250.259
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.82
LogP (Chemaxon):1.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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