| CAS Number | 33919-37-8 |
| Catalog Number | AG019LAD |
| Chemical Name | 3-methyl-4H-pyrido[2,1-c][1,2,4]triazin-4-one |
| IUPAC Name | 3-methylpyrido[2,1-c][1,2,4]triazin-4-one |
| InChI | InChI=1S/C8H7N3O/c1-6-8(12)11-5-3-2-4-7(11)10-9-6/h2-5H,1H3 |
| InChI Key | YEXMPUAODGWUCK-UHFFFAOYSA-N |
| MDL Number | MFCD09863376 |
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.1607 |
| SMILES | CC1C(=O)N2C(C=CC=C2)=NN=1 |
| Synonyms | 3-methyl-4H-pyrido[2,1-c][1,2,4]triazin-4-one,
33919-37-8,
AC1Q2PZT,
CTK6C4924,
ZINC20281489,
AKOS023166502,
NE61641,
EN300-30597,
Z316170506,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.164g/mol |
| Monoisotopic Mass | 161.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number