5-Phenyl-1,2,4-triazin-3-amine - CAS 942-60-9
Catalog: |
BB058127 |
Product Name: |
5-Phenyl-1,2,4-triazin-3-amine |
CAS: |
942-60-9 |
Synonyms: |
5-phenyl-1,2,4-triazin-3-amine; 5-phenyl-1,2,4-triazin-3-ylamine; 3-Amino-5-phenyl-as-triazine; as-Triazine, 3-amino-5-phenyl-; 5-Phenyl-[1,2,4]triazin-3-ylamine; 1,2,4-Triazin-3-amine, 5-phenyl- |
IUPAC Name: | 5-phenyl-1,2,4-triazin-3-amine |
Description: | 5-PHENYL-1,2,4-TRIAZIN-3-AMINE (cas# 942-60-9) is a useful research chemical. |
Molecular Weight: | 172.18 |
Molecular Formula: | C9H8N4 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CN=NC(=N2)N |
InChI: | InChI=1S/C9H8N4/c10-9-12-8(6-11-13-9)7-4-2-1-3-5-7/h1-6H,(H2,10,12,13) |
InChI Key: | IJXBFQUBVHTXGX-UHFFFAOYSA-N |
Melting Point: | >232 °C (dec.) |
Solubility: | Chloroform (Slightly, Heated and Sonicated), DMSO (Slightly, Sonicated) |
Storage: | -20°C, Inert atmosphere |
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 |
BR-112020011965-A2 | triazole azines of cyclohexylic acid as lpa antagonists | 20171219 |
CN-112055711-A | Cyclohexyl acid triazole azines as LPA antagonists | 20171219 |
EP-3728223-A1 | Cyclohexyl acid triazole azines as lpa antagonists | 20171219 |
KR-20200100719-A | Cyclohexyl acid triazole azine as an LPA antagonist | 20171219 |
JP-2021506860-A | Triazole acrylate cyclohexyl as an LPA antagonist | 20171219 |
US-2021230143-A1 | Cyclohexyl acid triazole azines as lpa antagonists | 20171219 |
US-11267800-B2 | Cyclohexyl acid triazole azines as LPA antagonists | 20171219 |
WO-2019116037-A1 | Preparation of metal-pyridine derivative complexes for use in medical imaging | 20171213 |
CN-108467386-A | 1,2,4- triazine -3- the amine derivants of thick heteroaryl substitution, preparation method and its application in medicine | 20170223 |
CN-108884061-A | 1,2,4- triazine -3- amine derivant, preparation method and its application in medicine | 20170113 |
PMID | Publication Date | Title | Journal |
22220592 | 20120308 | Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design | Journal of medicinal chemistry |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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