Chemical ID: 6399036

CC(C)CN(CC(C)C)C(=O)c1cnccn1
Chemical ID:
6399036
Name [?]:
N,N-diisobutylpyrazine-2-carboxamide
SMILES [?]:
CC(C)CN(CC(C)C)C(=O)c1cnccn1
InChi [?]:
InChI=1/C13H21N3O/c1-10(2)8-16(9-11(3)4)13(17)12-7-14-5-6-15-12/h5-7,10-11H,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,15,16,13,4,6,2,7,12,10,14,17,5,11/E:(1,2,3,4)(8,9)(10,11)/rA:17nCCCCNCCCCCOCCNCCN/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21N3O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.62
Area:415.676
Solvation:-1.7719
Coulombic:-29.228
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.325
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.8
LogP (Chemaxon):1.39

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