3-Ethyl-1H-1,2,4-triazol-5-amine - CAS 22819-05-2
Catalog: |
BB017756 |
Product Name: |
3-Ethyl-1H-1,2,4-triazol-5-amine |
CAS: |
22819-05-2 |
Synonyms: |
5-ethyl-1H-1,2,4-triazol-3-amine |
IUPAC Name: | 5-ethyl-1H-1,2,4-triazol-3-amine |
Description: | 3-Ethyl-1H-1,2,4-triazol-5-amine (CAS# 22819-05-2) is a useful research chemical. |
Molecular Weight: | 112.13 |
Molecular Formula: | C4H8N4 |
Canonical SMILES: | CCC1=NC(=NN1)N |
InChI: | InChI=1S/C4H8N4/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H3,5,6,7,8) |
InChI Key: | ZVWFWIXWMIMWEU-UHFFFAOYSA-N |
Boiling Point: | 332.8 °C at 760 mmHg |
Density: | 1.255 g/cm3 |
MDL: | MFCD01114776 |
LogP: | 0.53050 |
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 |
JP-2019123801-A | Aqueous paint composition excellent in corrosion resistance | 20180116 |
EP-3608327-A1 | Triazole silane compound, method for synthesizing said compound and use thereof | 20170407 |
JP-WO2018186476-A1 | Triazole silane compound, method for synthesizing the compound and use thereof | 20170407 |
KR-20190135484-A | Triazolesilane compound, method for synthesizing the compound and use thereof | 20170407 |
TW-201841929-A | Triazolium compound, synthesis method of the same and utilization thereof | 20170407 |
PMID | Publication Date | Title | Journal |
19527033 | 20090723 | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening | Journal of medicinal chemistry |
Complexity: | 74.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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