2-amino-2-{pyrazolo[1,5-b]pyridazin-3-yl}acetic acid - CAS 1461705-49-6
Catalog: |
BB010049 |
Product Name: |
2-amino-2-{pyrazolo[1,5-b]pyridazin-3-yl}acetic acid |
CAS: |
1461705-49-6 |
Synonyms: |
2-amino-2-(3-pyrazolo[1,5-b]pyridazinyl)acetic acid; 2-amino-2-pyrazolo[1,5-b]pyridazin-3-ylacetic acid |
IUPAC Name: | 2-amino-2-pyrazolo[1,5-b]pyridazin-3-ylacetic acid |
Description: | 2-amino-2-{pyrazolo[1,5-b]pyridazin-3-yl}acetic acid (CAS# 1461705-49-6 ) is a useful research chemical. |
Molecular Weight: | 192.178 |
Molecular Formula: | C8H8N4O2 |
Canonical SMILES: | C1=CC2=C(C=NN2N=C1)C(C(=O)O)N |
InChI: | InChI=1S/C8H8N4O2/c9-7(8(13)14)5-4-11-12-6(5)2-1-3-10-12/h1-4,7H,9H2,(H,13,14) |
InChI Key: | UNMLRUXTQPLOGU-UHFFFAOYSA-N |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.06472551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 93.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3 |
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