| CAS Number | 57980-39-9 |
| Catalog Number | AG01C40C(AGN-PC-03GNM1) |
| Chemical Name | 4-(4-Methyl-4H-1,2,4-triazol-3-yl)pyridine |
| IUPAC Name | 4-(4-methyl-1,2,4-triazol-3-yl)pyridine |
| InChI | InChI=1S/C8H8N4/c1-12-6-10-11-8(12)7-2-4-9-5-3-7/h2-6H,1H3 |
| InChI Key | BZDDCTCQFWOJMO-UHFFFAOYSA-N |
| MDL Number | MFCD12035083 |
| Molecular Formula | C8H8N4 |
| Molecular Weight | 160.1759 |
| SMILES | CN1C(C2=CC=NC=C2)=NN=C1 |
| Synonyms | 4-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine,
57980-39-9,
SCHEMBL2451213,
BZDDCTCQFWOJMO-UHFFFAOYSA-N,
STK694904,
ZINC35326194,
AKOS005606567,
MCULE-5559822038,
ST088446,
4-methyl-3-(4-pyridyl)-1,2,4-triazole,
4-(4-Methyl-1,2,4-triazol-3-yl)pyridine,
CS-0040663,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.18g/mol |
| Monoisotopic Mass | 160.075g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number