5-(3-Pyridyl)-1H-tetrazole - CAS 3250-74-6
Catalog: |
BB021315 |
Product Name: |
5-(3-Pyridyl)-1H-tetrazole |
CAS: |
3250-74-6 |
Synonyms: |
3-(2H-tetrazol-5-yl)pyridine |
IUPAC Name: | 3-(2H-tetrazol-5-yl)pyridine |
Description: | 5-(3-Pyridyl)-1H-tetrazole (CAS# 3250-74-6) is a useful research chemical. |
Molecular Weight: | 147.14 |
Molecular Formula: | C6H5N5 |
Canonical SMILES: | C1=CC(=CN=C1)C2=NNN=N2 |
InChI: | InChI=1S/C6H5N5/c1-2-5(4-7-3-1)6-8-10-11-9-6/h1-4H,(H,8,9,10,11) |
InChI Key: | SECHDFHDDVELCV-UHFFFAOYSA-N |
Boiling Point: | 379.4 °C at 760 mmHg |
Melting Point: | 240 °C |
Purity: | 95 % |
Density: | 1.388 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00040281 |
LogP: | 0.26170 |
GHS Hazard Statement: | H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021061809-A1 | Triazolopyrimidines as a2a / a2b inhibitors | 20190826 |
WO-2021041360-A1 | Triazolopyrimidines as a2a / a2b inhibitors | 20190826 |
TW-201925413-A | Chemical mechanical polishing composition | 20171122 |
WO-2019101555-A1 | Chemical mechanical polishing composition | 20171122 |
EP-3714012-A1 | Chemical mechanical polishing composition | 20171122 |
PMID | Publication Date | Title | Journal |
22807733 | 20120701 | Tetra-aqua-bis-[5-(pyridin-3-yl)tetra-zolido-κN⁵]manganese(II) tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
21589327 | 20101127 | Tetra-aqua-bis-[5-(3-pyrid-yl)tetra-zolido-κN]zinc(II) tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
21577721 | 20090909 | Diaqua-dichlorido[5-(3-pyridinio)tetra-zolato-κN]copper(II) dihydrate | Acta crystallographica. Section E, Structure reports online |
15634016 | 20050113 | 5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6 | Journal of medicinal chemistry |
9632376 | 19980618 | Antimycobacterial activity of substituted isosteres of pyridine- and pyrazinecarboxylic acids | Journal of medicinal chemistry |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.05449518 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.05449518 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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