Chemical ID: 4676189

CCOC(C=C)n1cncn1
Chemical ID:
4676189
Name [?]:
1-(1-ethoxyprop-2-enyl)-1,2,4-triazole
SMILES [?]:
CCOC(C=C)n1cncn1
InChi [?]:
InChI=1/C7H11N3O/c1-3-7(11-4-2)10-6-8-5-9-10/h3,5-7H,1,4H2,2H3
InChi Info:
AuxInfo=1/0/N:6,1,5,2,10,8,4,9,11,7,3/rA:11cCCOCCCNCNCN/rB:s1;s2;s3;s4;d5;s4;s7;d8;s9;s7d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11N3O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:4.42633
Area:326.632
Solvation:-3.73948
Coulombic:-18.3458
Bond Count [?]
All:11
Single:8
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:153.182
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.83
LogP (Chemaxon):0.77

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