5-(1-Aminoethyl)-1H-1,2,4-triazole-3-acetic Acid - CAS 951625-86-8
Catalog: |
BB061355 |
Product Name: |
5-(1-Aminoethyl)-1H-1,2,4-triazole-3-acetic Acid |
CAS: |
951625-86-8 |
Synonyms: |
1H-1,2,4-Triazole-3-acetic acid, 5-(1-aminoethyl)-; 2-(5-(1-aminoethyl)-4H-1,2,4-triazol-3-yl)acetic acid; 2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetic acid; 5-(1-Aminoethyl)-1H-1,2,4-triazole-3-acetic Acid; 2-[5-(1-aminoethyl)-4H-1,2,4-triazol-3-yl]acetic acid |
IUPAC Name: | 2-[3-(1-aminoethyl)-1H-1,2,4-triazol-5-yl]acetic acid |
Molecular Weight: | 184.2 |
Molecular Formula: | C7H12N4O2 |
Canonical SMILES: | CC(C1=NNC(=N1)CC(=O)O)N |
InChI: | InChI=1S/C6H10N4O2/c1-3(7)6-8-4(9-10-6)2-5(11)12/h3H,2,7H2,1H3,(H,11,12)(H,8,9,10) |
InChI Key: | CJWFEFUSFJUUIK-UHFFFAOYSA-N |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.08037557 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 105Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3.5 |
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