1-Ethyl-1H-1,2,4-triazole-5-carbaldehyde - CAS 675617-95-5
Catalog: |
BB033329 |
Product Name: |
1-Ethyl-1H-1,2,4-triazole-5-carbaldehyde |
CAS: |
675617-95-5 |
Synonyms: |
2-ethyl-1,2,4-triazole-3-carbaldehyde |
IUPAC Name: | 2-ethyl-1,2,4-triazole-3-carbaldehyde |
Description: | 1-Ethyl-1H-1,2,4-triazole-5-carbaldehyde (CAS# 675617-95-5) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C5H7N3O |
Canonical SMILES: | CCN1C(=NC=N1)C=O |
InChI: | InChI=1S/C5H7N3O/c1-2-8-5(3-9)6-4-7-8/h3-4H,2H2,1H3 |
InChI Key: | IGMKFRWHQLJAJS-UHFFFAOYSA-N |
Boiling Point: | 277.4 °C at 760 mmHg |
Density: | 1.24 g/cm3 |
Appearance: | Solid |
MDL: | MFCD10686597 |
LogP: | 0.11050 |
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 |
CA-2967944-A1 | Aminopyrazine compounds with a2a antagonist properties | 20141118 |
EP-3220910-B1 | Aminopyrazine compounds with a2a antagonist properties | 20141118 |
JP-2017533946-A | Aminopyrazine compounds having A2A antagonist properties | 20141118 |
KR-20170083136-A | Aminopyrazine compounds with a2a antagonist properties | 20141118 |
US-10472347-B2 | Aminopyrazine compounds with A2A antagonist properties | 20141118 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.058911855 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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