Chemical ID: 4584526

c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
Chemical ID:
4584526
Name [?]:
3-benzyl-5-(4,5-dihydrooxazol-2-yl)triazol-4-amine
SMILES [?]:
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13N5O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.46859
Area:423.802
Solvation:-3.12646
Coulombic:-37.4434
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.265
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.23
LogP (Chemaxon):0.71

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