| CAS Number | 1142927-05-6 |
| Catalog Number | AG01ALSS |
| Chemical Name | 1-Methyl-1H-1,2,4-triazole-3-carbonitrile |
| IUPAC Name | 1-methyl-1,2,4-triazole-3-carbonitrile |
| InChI | InChI=1S/C4H4N4/c1-8-3-6-4(2-5)7-8/h3H,1H3 |
| InChI Key | FLGDSZZTEJTGJH-UHFFFAOYSA-N |
| MDL Number | MFCD17241674 |
| Molecular Formula | C4H4N4 |
| Molecular Weight | 108.1014 |
| SMILES | CN1N=C(N=C1)C#N |
| Synonyms | 1-methyl-1H-1,2,4-triazole-3-carbonitrile,
1142927-05-6,
SCHEMBL1992990,
FLGDSZZTEJTGJH-UHFFFAOYSA-N,
ZINC60060264,
AKOS009113184,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 108.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 108.104g/mol |
| Monoisotopic Mass | 108.044g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number