4-(4H-1,2,4-Triazol-4-yl)benzaldehyde

Inquiry

Molecular Formula:

C9H7N3O

Molecular Weight:

173.17

CAS Number:

170023-30-0

Catalog Number:

170023-30-0

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

173.058911855

Monoisotopic Mass

173.058911855

Topological Polar Surface Area

47.8

Heavy Atom Count

Formal Charge

Complexity

172

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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