| CAS Number | 1132017-25-4 |
| Catalog Number | AG01BBW4 |
| Chemical Name | [1-(3-aminopropyl)-1H-1,2,3-triazol-4-yl]methanol |
| IUPAC Name | [1-(3-aminopropyl)triazol-4-yl]methanol |
| InChI | InChI=1S/C6H12N4O/c7-2-1-3-10-4-6(5-11)8-9-10/h4,11H,1-3,5,7H2 |
| InChI Key | YCIXVERENBRDBR-UHFFFAOYSA-N |
| MDL Number | MFCD16747742 |
| Molecular Formula | C6H12N4O |
| Molecular Weight | 156.1857 |
| SMILES | NCCCN1N=NC(CO)=C1 |
| Synonyms | [1-(3-aminopropyl)-1H-1,2,3-triazol-4-yl]methanol,
1132017-25-4,
ZINC52221575,
AKOS011688167,
VS-0153,
Z2146515000,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.189g/mol |
| Monoisotopic Mass | 156.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
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Certificate of Analysis
Lot Number