4H,5H-[1,2,4]Triazolo[1,5-a]pyrimidin-5-one - CAS 14384-66-8
Catalog: |
BB064206 |
Product Name: |
4H,5H-[1,2,4]Triazolo[1,5-a]pyrimidin-5-one |
CAS: |
14384-66-8 |
Synonyms: |
s-Triazolo[1,5-a]pyrimidin-5(4H)-one; 4,5-Dihydro-1,2,4-triazolo[1,5-a]pyrimidin-5-one; 4,5-Dihydro-5-oxo-[1,2,4]-triazolo[1,5-a]pyrimidine; s-Triazolo[1,5-a]pyrimidin-5-ol |
IUPAC Name: | 4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one |
Description: | 4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (cas# 14384-66-8) is a useful research chemical. |
Molecular Weight: | 136.11 |
Molecular Formula: | C5H4N4O |
Canonical SMILES: | C1=CN2C(=NC=N2)NC1=O |
InChI: | InChI=1S/C5H4N4O/c10-4-1-2-9-5(8-4)6-3-7-9/h1-3H,(H,6,7,8,10) |
InChI Key: | RDHMBEKEDDDWOF-UHFFFAOYSA-N |
Melting Point: | > 247 °C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Pale Beige Solid |
Storage: | 4°C, Inert atmosphere |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.03851076 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.03851076 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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