6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid - CAS 1018144-12-1
Catalog: |
BB042859 |
Product Name: |
6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
CAS: |
1018144-12-1 |
Synonyms: |
6-Methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid; SBB025373; STK352316 |
IUPAC Name: | 6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid |
Description: | 6-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS# 1018144-12-1 ) is a useful research chemical. |
Molecular Weight: | 178.15 |
Molecular Formula: | C7H6N4O2 |
Canonical SMILES: | CC1=CN2C(=NC(=N2)C(=O)O)N=C1 |
InChI: | InChI=1S/C7H6N4O2/c1-4-2-8-7-9-5(6(12)13)10-11(7)3-4/h2-3H,1H3,(H,12,13) |
InChI Key: | JKMCNFGPCAFLOJ-UHFFFAOYSA-N |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.04907545 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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