| CAS Number | 2059912-18-2 |
| Catalog Number | AG01BS1U |
| Chemical Name | (6S)-2,8,14-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),11,13-triene |
| IUPAC Name | (6S)-2,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene |
| InChI | InChI=1S/C11H15N3/c1-3-9-7-12-8-10-4-2-6-14(10)11(9)13-5-1/h1,3,5,10,12H,2,4,6-8H2/t10-/m0/s1 |
| InChI Key | XHLZWHZPUMPINL-JTQLQIEISA-N |
| MDL Number | MFCD30536011 |
| Molecular Formula | C11H15N3 |
| Molecular Weight | 189.2569 |
| SMILES | C1CN2[C@H](CNCC3=C2N=CC=C3)C1 |
| Synonyms | 2059909-65-6,
2059912-18-2,
ZINC584880284,
(6R)-2,8,14-Triazatricyclo[8.4.0.0,2,6]tetradeca-1(10),11,13-triene,
(6S)-2,8,14-triazatricyclo[8.4.0.0,2,6]tetradeca-1(14),10,12-triene,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.262g/mol |
| Monoisotopic Mass | 189.127g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number