10-Ethyl-6,8-dimethyl-5-oxo-5,10-dihydropyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid - CAS 1018142-95-4
Catalog: |
BB048039 |
Product Name: |
10-Ethyl-6,8-dimethyl-5-oxo-5,10-dihydropyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid |
CAS: |
1018142-95-4 |
Synonyms: |
10-ethyl-6,8-dimethyl-5-oxo-4,10-dihydropyridino[2,3-d]1,2,4-triazolo[4,3-a]pyrimidine-3-carboxylic acid |
IUPAC Name: | 2-ethyl-10,12-dimethyl-8-oxo-2,4,5,7,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaene-6-carboxylic acid |
Description: | 10-Ethyl-6,8-dimethyl-5-oxo-5,10-dihydropyrido[2,3-d][1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid (CAS# 1018142-95-4 ) is a useful research chemical. |
Molecular Weight: | 287.27 |
Molecular Formula: | C13H13N5O3 |
Canonical SMILES: | CCN1C2=C(C(=CC(=N2)C)C)C(=O)N3C1=NN=C3C(=O)O |
InChI: | InChI=1S/C13H13N5O3/c1-4-17-9-8(6(2)5-7(3)14-9)11(19)18-10(12(20)21)15-16-13(17)18/h5H,4H2,1-3H3,(H,20,21) |
InChI Key: | OIENYEARHOUJGJ-UHFFFAOYSA-N |
Complexity: | 459 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.10183929 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.10183929 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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