[1,2,4]Triazolo[1,5-a]pyrimidin-2-ylacetic acid - CAS 716362-08-2
Catalog: |
BB052996 |
Product Name: |
[1,2,4]Triazolo[1,5-a]pyrimidin-2-ylacetic acid |
CAS: |
716362-08-2 |
Synonyms: |
2-{[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid; [1,2,4]Triazolo[1,5-a]pyrimidine-2-acetic acid |
IUPAC Name: | 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid |
Molecular Weight: | 178.15 |
Molecular Formula: | C7H6N4O2 |
Canonical SMILES: | C1=CN2C(=NC(=N2)CC(=O)O)N=C1 |
InChI: | InChI=1S/C7H6N4O2/c12-6(13)4-5-9-7-8-2-1-3-11(7)10-5/h1-3H,4H2,(H,12,13) |
InChI Key: | GQLFTNOBABDOLE-UHFFFAOYSA-N |
Density: | 1.7±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.04907545 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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