Chemical ID: 4902276

CCN(CC)CCNc1c(c2c(cn1)Cc3ccccc3N2)C#N
Chemical ID:
4902276
Name [?]:
None
SMILES [?]:
CCN(CC)CCNc1c(c2c(cn1)Cc3ccccc3N2)C#N
InChi [?]:
InChI=1/C19H23N5/c1-3-24(4-2)10-9-21-19-16(12-20)18-15(13-22-19)11-14-7-5-6-8-17(14)23-18/h5-8,13,23H,3-4,9-11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,17,20,7,6,15,23,13,16,12,10,21,11,9,24,8,14,22,3/E:(1,2)(3,4)/rA:24nCCNCCCCNCCCCCNCCCCCCCNCN/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s18;d19;d16s20;s11s21;s10;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.6958
Area:560.506
Solvation:-2.31689
Coulombic:-37.2185
Bond Count [?]
All:26
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.42
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.32
LogP (Chemaxon):2.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue