| CAS Number | 1461706-73-9 |
| Catalog Number | AG01A0FD(AGN-PC-0WO55B) |
| Chemical Name | 3-(1-Methyl-1H-1,2,4-triazol-3-yl)aniline |
| IUPAC Name | 3-(1-methyl-1,2,4-triazol-3-yl)aniline |
| InChI | InChI=1S/C9H10N4/c1-13-6-11-9(12-13)7-3-2-4-8(10)5-7/h2-6H,10H2,1H3 |
| InChI Key | QHVFQQUIBXKCFM-UHFFFAOYSA-N |
| MDL Number | MFCD25371563 |
| Molecular Formula | C9H10N4 |
| Molecular Weight | 174.2025 |
| SMILES | CN1N=C(N=C1)C=1C=C(N)C=CC1 |
| Synonyms | 3-(1-methyl-1H-1,2,4-triazol-3-yl)aniline,
1461706-73-9,
ZINC95347447,
AKOS016042668,
MCULE-7285032708,
NE17159,
F3367-0286,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.207g/mol |
| Monoisotopic Mass | 174.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number