4-(4H-1,2,4-Triazol-4-yl)benzaldehyde
Product Information
Molecular Formula
C9H7N3O
Molecular Weight
173.17
Synonyms
4-(4H-1,2,4-Triazol-4-yl)benzaldehyde; 4-[1,3,4]triazol-1-yl-benzaldehyde; 4-(1,2,4-triazol-4-yl)benzaldehyde; SCHEMBL2511973; 4-[1,3,4] triazol-1-yl-benzaldehyde; 4-(4H-1,2,4-triazol-4-yl)-benzaldehyde
IUPAC Name
4-(1,2,4-triazol-4-yl)benzaldehyde
SMILES
C1=CC(=CC=C1C=O)N2C=NN=C2
InChI
InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-6-10-11-7-12/h1-7H
InChI Key
VYHSHTIUVDTDBF-UHFFFAOYSA-N
Purity
97%
Safety Information
Hazards
H315-H319
Precautionary Statement
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
GHS Pictogram
GHS07
Signal Word
Warning
Computed Properties
XLogP3
0.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
173.058911855
Monoisotopic Mass
173.058911855
Topological Polar Surface Area
47.8
Heavy Atom Count
13
Formal Charge
0
Complexity
172
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CA-2941581-A1 | Novel compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 2014-03-12 |
| CA-2941581-C | Novel compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 2014-03-12 |
| DK-3116859-T3 | HIS UNKNOWN RELATIONSHIPS OF HISTONDEACETYLASE-6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THESE | 2014-03-12 |
| EP-3116859-A1 | Novel compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 2014-03-12 |
| EP-3116859-B1 | Novel compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 2014-03-12 |
| JP-2017507976-A | Novel compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same | 2014-03-12 |
| JP-6392888-B2 | Novel compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same | 2014-03-12 |
| KR-101697518-B1 | Novel compounds for HDAC6 inhibitor, and the pharmaceutical composition comprising thereof | 2014-03-12 |
| KR-20150106857-A | Novel compounds for HDAC6 inhibitor, and the pharmaceutical composition comprising thereof | 2014-03-12 |
| RU-2660897-C2 | Novel compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 2014-03-12 |
