5-Methoxycarbonyl-1,2,3-triazine - CAS 150017-40-6
Catalog: |
BB010475 |
Product Name: |
5-Methoxycarbonyl-1,2,3-triazine |
CAS: |
150017-40-6 |
Synonyms: |
methyl triazine-5-carboxylate |
IUPAC Name: | methyl triazine-5-carboxylate |
Description: | 5-Methoxycarbonyl-1,2,3-triazine (CAS# 150017-40-6 ) is a useful research chemical. |
Molecular Weight: | 139.11 |
Molecular Formula: | C5H5N3O2 |
Canonical SMILES: | COC(=O)C1=CN=NN=C1 |
InChI: | InChI=1S/C5H5N3O2/c1-10-5(9)4-2-6-8-7-3-4/h2-3H,1H3 |
InChI Key: | DZONTPIFZFRSGP-UHFFFAOYSA-N |
Boiling Point: | 256.924 ℃ at 760 mmHg |
Density: | 1.3 g/cm3 |
LogP: | -0.34180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
ES-2390188-T3 | Antiviral Nucleoside Analogs | 20070112 |
JP-2010515760-A | Antiviral nucleoside analogues | 20070112 |
CN-1622946-A | Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors | 20001117 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.038176411 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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