5-(m-Tolyl)tetrazole - CAS 3441-00-7
Catalog: |
BB022124 |
Product Name: |
5-(m-Tolyl)tetrazole |
CAS: |
3441-00-7 |
Synonyms: |
5-(3-methylphenyl)-2H-tetrazole; 5-(3-methylphenyl)-2H-tetrazole |
IUPAC Name: | 5-(3-methylphenyl)-2H-tetrazole |
Description: | 5-(m-Tolyl)tetrazole (CAS# 3441-00-7 ) is a useful research chemical. |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | CC1=CC=CC(=C1)C2=NNN=N2 |
InChI: | InChI=1S/C8H8N4/c1-6-3-2-4-7(5-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12) |
InChI Key: | GWZNHKMUSLKULV-UHFFFAOYSA-N |
Boiling Point: | 350.3 ℃ at 760 mmHg |
Density: | 1.241 g/cm3 |
MDL: | MFCD03093096 |
LogP: | 1.17510 |
Publication Number | Title | Priority Date |
US-2021061809-A1 | Triazolopyrimidines as a2a / a2b inhibitors | 20190826 |
WO-2021041360-A1 | Triazolopyrimidines as a2a / a2b inhibitors | 20190826 |
WO-2020104456-A1 | INHIBITORS OF α-AMINO-β-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE | 20181120 |
TW-202033516-A | Inhibitors of α-amino-β-carboxymuconic acid semialdehyde decarboxylase | 20181120 |
CN-113302189-A | Inhibitors of alpha-amino-beta-carboxyadipimic acid semialdehyde decarboxylating enzyme | 20181120 |
PMID | Publication Date | Title | Journal |
22058729 | 20111001 | 6-Chloro-3-(3-methyl-phen-yl)-1,2,4-triazolo[4,3-b]pyridazine | Acta crystallographica. Section E, Structure reports online |
21754244 | 20110401 | 5-Methyl-3-(3-methyl-phen-yl)-7-phenyl-1,2,4-triazolo[4,3-c]pyrimidine | Acta crystallographica. Section E, Structure reports online |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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