2-Methyl-2H-tetrazole-5-carbaldehyde - CAS 55408-47-4
Catalog: |
BB029033 |
Product Name: |
2-Methyl-2H-tetrazole-5-carbaldehyde |
CAS: |
55408-47-4 |
Synonyms: |
2-methyl-5-tetrazolecarboxaldehyde; 2-methyltetrazole-5-carbaldehyde |
IUPAC Name: | 2-methyltetrazole-5-carbaldehyde |
Description: | 2-Methyl-2H-tetrazole-5-carbaldehyde (CAS# 55408-47-4) is a useful research chemical. |
Molecular Weight: | 112.09 |
Molecular Formula: | C3H4N4O |
Canonical SMILES: | CN1N=C(N=N1)C=O |
InChI: | InChI=1S/C3H4N4O/c1-7-5-3(2-8)4-6-7/h2H,1H3 |
InChI Key: | PPAQSZMPTHGKSE-UHFFFAOYSA-N |
LogP: | -0.97740 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021032209-A1 | Anti-influenza virus compound, preparation method and use thereof | 20190822 |
BR-112019017171-A2 | 1h-pyrazolo [4,3-b] pde1-inhibiting pyridines, pharmaceutical composition and use thereof | 20171220 |
TW-201927779-A | 1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor | 20171220 |
US-2019194189-A1 | 1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors | 20171220 |
WO-2019121885-A1 | 1h-pyrazolo[4,3-b]pyridines as pde1 inhibitors | 20171220 |
Complexity: | 95.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.03851076 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.03851076 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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