2-Amino-3-ethynylpyrazine - CAS 1005349-13-2
Catalog: |
BB074846 |
Product Name: |
2-Amino-3-ethynylpyrazine |
CAS: |
1005349-13-2 |
Synonyms: |
3-ethynylpyrazin-2-amine; 2-Amino-3-ethynylpyrazine; 2-Pyrazinamine, 3-ethynyl-; 2-Amino-3-ethynyl pyrazine |
IUPAC Name: | 3-ethynylpyrazin-2-amine |
Molecular Weight: | 119.12 |
Molecular Formula: | C6H5N3 |
Canonical SMILES: | C#CC1=NC=CN=C1N |
InChI: | InChI=1S/C6H5N3/c1-2-5-6(7)9-4-3-8-5/h1,3-4H,(H2,7,9) |
InChI Key: | JIXOVARXVOUXKF-UHFFFAOYSA-N |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 119.048347172 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.048347172 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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