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Chemical ID: 6399036
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
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Experimental Annotations
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Descriptor Annotations
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