2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one - CAS 1423026-73-6
Catalog: |
BB059507 |
Product Name: |
2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
CAS: |
1423026-73-6 |
Synonyms: |
2-methyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one; 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
IUPAC Name: | 2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one |
Molecular Weight: | 154.16 |
Molecular Formula: | C6H10N4O |
Canonical SMILES: | CN1C(=O)N2CCNCC2=N1 |
InChI: | InChI=1S/C6H10N4O/c1-9-6(11)10-3-2-7-4-5(10)8-9/h7H,2-4H2,1H3 |
InChI Key: | UXJQJZWSAVORIW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Publication Number | Title | Priority Date |
WO-2020160151-A1 | 15-pgdh inhibitors | 20190131 |
EP-3917911-A1 | 15-pgdh inhibitors | 20190131 |
US-2022073494-A1 | 15-pgdh inhibitors | 20190131 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.08546096 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.08546096 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 47.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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