Chemical ID: 4691263

CC(C)(C(=O)O)n1cncn1
Chemical ID:
4691263
Name [?]:
2-methyl-2-(1,2,4-triazol-1-yl)propanoic acid
SMILES [?]:
CC(C)(C(=O)O)n1cncn1
InChi [?]:
InChI=1/C6H9N3O2/c1-6(2,5(10)11)9-4-7-3-8-9/h3-4H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,10,8,4,2,9,11,7,5,6/E:(1,2)(10,11)/rA:11nCCCCOONCNCN/rB:s1;s2;s2;d4;s4;s2;s7;d8;s9;s7d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9N3O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.9268
Area:303.587
Solvation:-2.66287
Coulombic:-36.5334
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:155.155
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:-0.24
LogP (Chemaxon):-0.48

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