| CAS Number | 25568-69-8 |
| Catalog Number | AG01EJ9R(AGN-PC-05TQHW) |
| Chemical Name | 2-(3-Methyl-1H-1,2,4-triazol-5-yl)aniline |
| IUPAC Name | 2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline |
| InChI | InChI=1S/C9H10N4/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3,(H,11,12,13) |
| InChI Key | MIFKRUNSFYRBSB-UHFFFAOYSA-N |
| MDL Number | MFCD11839769 |
| Molecular Formula | C9H10N4 |
| Molecular Weight | 174.2025 |
| SMILES | CC1=NNC(=N1)C1=C(N)C=CC=C1 |
| Synonyms | 2-(3-methyl-1H-1,2,4-triazol-5-yl)aniline,
25568-69-8,
MCULE-3312443067,
NE60284,
EN300-41152,
Z425389686,
2-(5-Methyl-2H-[1,2,4]triazol-3-yl)-phenylamine,
2-(5-methyl-1H-[1,2,4]triazol-3-yl)-aniline,
AC1Q2Q3A,
SCHEMBL7465746,
SCHEMBL11683566,
CTK6C3919,
CTK8F3575,
ZINC32627991,
AKOS002684370,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.207g/mol |
| Monoisotopic Mass | 174.091g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number