4,5-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid - CAS 1564571-59-0
Catalog: |
BB063093 |
Product Name: |
4,5-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid |
CAS: |
1564571-59-0 |
Synonyms: |
4,5-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid; 4,5-dimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid; 4,5-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylicacid |
IUPAC Name: | 4,5-dimethyl-7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid |
Molecular Weight: | 194.19 |
Molecular Formula: | C8H10N4O2 |
Canonical SMILES: | CC1=C(CN2C(=NC=N2)N1C)C(=O)O |
InChI: | InChI=1S/C8H10N4O2/c1-5-6(7(13)14)3-12-8(11(5)2)9-4-10-12/h4H,3H2,1-2H3,(H,13,14) |
InChI Key: | GYNJQGQQKIBROE-UHFFFAOYSA-N |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.08037557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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