| CAS Number | 1955564-47-2 |
| Catalog Number | AG01C56W |
| Chemical Name | N-{[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine |
| IUPAC Name | N-[[1-methyl-3-(1-methylpyrazol-4-yl)pyrazol-4-yl]methylidene]hydroxylamine |
| InChI | InChI=1S/C9H11N5O/c1-13-5-7(3-10-13)9-8(4-11-15)6-14(2)12-9/h3-6,15H,1-2H3 |
| InChI Key | IMHJMZVBTUWXTI-UHFFFAOYSA-N |
| MDL Number | MFCD29991349 |
| Molecular Formula | C9H11N5O |
| Molecular Weight | 205.2165 |
| SMILES | CN1N=CC(C2C(C=NO)=CN(C)N=2)=C1 |
| Synonyms | N-{[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazol-4-yl]methylidene}hydroxylamine,
1955564-47-2,
ZINC575435849,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.221g/mol |
| Monoisotopic Mass | 205.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.1 |
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