2-Phenyl-2H-1,2,3-triazol-4-amine - CAS 39102-26-6
Catalog: |
BB058259 |
Product Name: |
2-Phenyl-2H-1,2,3-triazol-4-amine |
CAS: |
39102-26-6 |
Synonyms: |
(6CI)-4-amino-2-phenyl-2H-1,2,3-triazole;2-Phenyl-2H-1,2,3-triazol-4-amine;4-Amino-2-phenyl-2H-1,2,3-triazole |
IUPAC Name: | 2-phenyltriazol-4-amine |
Description: | 2-Phenyl-2H-1,2,3-triazol-4-amine is used in the preparation of trans-N-[1-(2-fluorophenyl)-3-pyrazolyl]-3-oxospiro[6-azaisobenzofuran-1(3H),1'-cyclohexane]-4'-carboxamide, a potent and orally active neuropeptide Y Y5 receptor antagonist |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | C1=CC=C(C=C1)N2N=CC(=N2)N |
InChI: | InChI=1S/C8H8N4/c9-8-6-10-12(11-8)7-4-2-1-3-5-7/h1-6H,(H2,9,11) |
InChI Key: | VJOJLJGJYMRISA-UHFFFAOYSA-N |
References: | Haga, Y., et al. Bioorg. Med. Chem., 17, 6971 (2009). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019126103-A1 | Cyclohexyl acid pyrazole azoles as lpa antagonists | 20171219 |
CN-112041029-A | Cyclohexaneacetic acid pyrazolazoles as LPA antagonists | 20171219 |
CN-112074515-A | Cyclohexyl acid isoxazoles as LPA antagonists | 20171219 |
EP-3727589-A1 | Cyclohexyl acid pyrazole azoles as lpa antagonists | 20171219 |
KR-20200100753-A | Cyclohexyl acid pyrazole azole as an LPA antagonist | 20171219 |
KR-20200100754-A | Cyclohexyl acid isoxazole azole as an LPA antagonist | 20171219 |
US-2020317662-A1 | Cyclohexyl acid isoxazole azoles as lpa antagonists | 20171219 |
JP-2021506863-A | Isoxazole Azole Cyclonate as an LPA Antagonist | 20171219 |
JP-2021507898-A | Pyrazole cyclohexylate as an LPA antagonist | 20171219 |
US-2021078982-A1 | Cyclohexyl acid pyrazole azoles as lpa antagonists | 20171219 |
Complexity: | 144 |
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: | 56.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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