1-methyl-1H-1,2,4-triazole-3-carboxylic acid - CAS 815588-82-0
Catalog: |
BB036669 |
Product Name: |
1-methyl-1H-1,2,4-triazole-3-carboxylic acid |
CAS: |
815588-82-0 |
Synonyms: |
1-methyl-1,2,4-triazole-3-carboxylic acid; 1-methyl-1,2,4-triazole-3-carboxylic acid |
IUPAC Name: | 1-methyl-1,2,4-triazole-3-carboxylic acid |
Description: | 1-methyl-1H-1,2,4-triazole-3-carboxylic acid (CAS# 815588-82-0) is a useful research chemical. |
Molecular Weight: | 127.103 |
Molecular Formula: | C4H5N3O2 |
Canonical SMILES: | CN1C=NC(=N1)C(=O)O |
InChI: | InChI=1S/C4H5N3O2/c1-7-2-5-3(6-7)4(8)9/h2H,1H3,(H,8,9) |
InChI Key: | PMEKKJJZHNQEIZ-UHFFFAOYSA-N |
LogP: | -0.48670 |
GHS Hazard Statement: | H302 (100%): 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 |
CN-113321622-A | Preparation method of 1-methyl-1H-1, 2, 4-triazole-3-methyl formate | 20210628 |
TW-202100711-A | Polishing composition, method for polishing and method for manufacturing substrate | 20190327 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164458-A | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 127 |
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: | 1 |
Topological Polar Surface Area: | 68 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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