3-Amino-5,6-dimethyl-1,2,4-triazine - CAS 17584-12-2
Catalog: |
BB013170 |
Product Name: |
3-Amino-5,6-dimethyl-1,2,4-triazine |
CAS: |
17584-12-2 |
Synonyms: |
5,6-dimethyl-1,2,4-triazin-3-amine |
IUPAC Name: | 5,6-dimethyl-1,2,4-triazin-3-amine |
Description: | 3-Amino-5,6-dimethyl-1,2,4-triazine (CAS# 17584-12-2) is used as a reagent in the preparation of triazine-based heterobicyclic nitrogen systems as anti-HIV and anticancer drugs. |
Molecular Weight: | 124.14 |
Molecular Formula: | C5H8N4 |
Canonical SMILES: | CC1=C(N=NC(=N1)N)C |
InChI: | InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9) |
InChI Key: | UIKGLXJNZXSPGV-UHFFFAOYSA-N |
Boiling Point: | 325 °C at 760 mmHg |
Melting Point: | 209-213 °C |
Purity: | 97 % |
Density: | 1.194 g/cm3 |
Appearance: | Yellow-brown powder. |
MDL: | MFCD00006460 |
LogP: | 0.65180 |
GHS Hazard Statement: | H302 (86.67%): 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 |
US-2021172046-A1 | Chemical activation of self-passivating metals | 20191206 |
TW-202000946-A | Chemical activation of self-passivating metals | 20180611 |
US-2019376173-A1 | Chemical activation of self-passivating metals | 20180611 |
CN-112236540-A | Chemical activation of self-passivating metals | 20180611 |
KR-20210019435-A | Chemical activation of self-passivating metals | 20180611 |
PMID | Publication Date | Title | Journal |
22259542 | 20120101 | 5,6-Dimethyl-1,2,4-triazin-3-amine | Acta crystallographica. Section E, Structure reports online |
22219773 | 20111101 | Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κN)silver(I) trifluromethane-sulfonate-3-amino-5,6-dimethyl-1,2,4-triazine (1/1) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 95 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.074896272 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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