Methyl-1H-1,2,4-triazole-3-carboxylate - CAS 4928-88-5
Catalog: |
BB026682 |
Product Name: |
Methyl-1H-1,2,4-triazole-3-carboxylate |
CAS: |
4928-88-5 |
Synonyms: |
methyl 1H-1,2,4-triazole-5-carboxylate |
IUPAC Name: | methyl 1H-1,2,4-triazole-5-carboxylate |
Description: | Methyl 1,2,4-Triazole-3-carboxylate has been used as a reactant for the preparation of Ribavirin (1-β-D-ribofuranosyl)-1,2,4-triazole-3-carboxamide, an antiviral agent. |
Molecular Weight: | 127.10 |
Molecular Formula: | C4H5N3O2 |
Canonical SMILES: | COC(=O)C1=NC=NN1 |
InChI: | InChI=1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7) |
InChI Key: | QMPFMODFBNEYJH-UHFFFAOYSA-N |
Boiling Point: | 283.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.38 g/cm3 |
MDL: | MFCD00135989 |
LogP: | -0.40870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113321622-A | Preparation method of 1-methyl-1H-1, 2, 4-triazole-3-methyl formate | 20210628 |
CN-113198019-A | Medicine formula for treating initial stage of new coronavirus pneumonia infection | 20210506 |
CN-111808034-A | Method for synthesizing 1,2, 4-triazole-3-methyl carboxylate | 20200728 |
CN-111647033-A | Method for preparing ribavirin by one-pot method | 20200608 |
CN-111471027-A | Synthesis process of ribavirin intermediate and intermediate | 20200521 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.038176411 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Related Functional Groups
Carbonyl Compounds
Triazole/Tetrazole
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[1243250-13-6]C6H8BrN3O2
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
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[13616-37-0]C5H8N4O2
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[86152-46-7]C6H10N4O2
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