4-methyl-4H-1,2,4-triazole-3-carbaldehyde - CAS 138624-57-4
Catalog: |
BB008819 |
Product Name: |
4-methyl-4H-1,2,4-triazole-3-carbaldehyde |
CAS: |
138624-57-4 |
Synonyms: |
4-methyl-1,2,4-triazole-3-carboxaldehyde; 4-methyl-1,2,4-triazole-3-carbaldehyde |
IUPAC Name: | 4-methyl-1,2,4-triazole-3-carbaldehyde |
Description: | 4-methyl-4H-1,2,4-triazole-3-carbaldehyde (CAS# 138624-57-4 ) is a useful research chemical. |
Molecular Weight: | 111.104 |
Molecular Formula: | C4H5N3O |
Canonical SMILES: | CN1C=NN=C1C=O |
InChI: | InChI=1S/C4H5N3O/c1-7-3-5-6-4(7)2-8/h2-3H,1H3 |
InChI Key: | YWHCWSOBIXRMBY-UHFFFAOYSA-N |
LogP: | 0.00000 |
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 |
WO-2017013593-A1 | Isoquinolinone derivatives as parp inhibitors | 20150722 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
US-2013281324-A1 | Bi-functinal complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011130661-A1 | Methods of using dihydropyridophthalazinone inhibitors of poly (adp-ribose)polymerase (parp) | 20100416 |
Complexity: | 95.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.043261792 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.043261792 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 47.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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