UCSF

ZINC01391277

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 13 No

Popular Name: 1-phenyl-1H-1,2,3-triazole-4-carbaldehyde 1-phenyl-1H-1,2,3-triazole-4-car…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 34296-51-0 , [34296-51-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.16 3.96 -18.16 0 4 0 48 173.175 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
melting_point 90 - 95 KeyOrganics
purity 95 Enamine Building Blocks
MP 97 - 99 Enamine Building Blocks
MP 97...99 Enamine Building Blocks
MP 99-101° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )