3-Amino-1,6-naphthyridin-5(6H)-one - CAS 1260671-38-2
Catalog: |
BB074568 |
Product Name: |
3-Amino-1,6-naphthyridin-5(6H)-one |
CAS: |
1260671-38-2 |
Synonyms: |
3-AMINO-1,6-NAPHTHYRIDIN-5-OL; 3-amino-6H-1,6-naphthyridin-5-one |
IUPAC Name: | 3-amino-6H-1,6-naphthyridin-5-one |
Molecular Weight: | 161.16 |
Molecular Formula: | C8H7N3O |
Canonical SMILES: | C1=CNC(=O)C2=C1N=CC(=C2)N |
InChI: | InChI=1S/C8H7N3O/c9-5-3-6-7(11-4-5)1-2-10-8(6)12/h1-4H,9H2,(H,10,12) |
InChI Key: | CBMSXAHZEPHHPN-UHFFFAOYSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.058911855 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 68Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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