Chemical ID: 4409964

Cc1nnc2n1c3ccccc3nc2N4CCCCCC4
Chemical ID:
4409964
Name [?]:
None
SMILES [?]:
Cc1nnc2n1c3ccccc3nc2N4CCCCCC4
InChi [?]:
InChI=1/C16H19N5/c1-12-18-19-16-15(20-10-6-2-3-7-11-20)17-13-8-4-5-9-14(13)21(12)16/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,10,9,17,20,11,8,16,21,2,12,7,14,5,13,3,4,15,6/E:(2,3)(6,7)(10,11)/rA:21nCCNNCNCCCCCCNCNCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s12;s5d13;s14;s15;s16;s17;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.35674
Area:444.896
Solvation:-1.76567
Coulombic:-25.4043
Bond Count [?]
All:24
Single:18
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:281.356
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.26
LogP (Chemaxon):2.87

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Experimental Annotations

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Descriptor Annotations

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