Chemical ID: 4668781

CC(C)(C)NC(=O)c1[nH]ccn1
Chemical ID:
4668781
Name [?]:
N-tert-butyl-1H-imidazole-2-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)c1[nH]ccn1
InChi [?]:
InChI=1/C8H13N3O/c1-8(2,3)11-7(12)6-9-4-5-10-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,8,6,2,9,12,5,7/E:(1,2,3)(4,5)(9,10)/rA:12nCCCCNCOCNCCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13N3O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.80465
Area:335.13
Solvation:-1.57359
Coulombic:-39.8001
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.208
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.68
LogP (Chemaxon):0.0

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