Pymetrozine
| PubChem CID | 9576037 |
| Molecular Formula | C10H11N5O |
| Structure |
|
| Synonyms |
Pymetrozine
123312-89-0 Pymetrozin 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]- Fulfill CHEBI:39311 Plenum F0G3V7874J (E)-4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-1,2,4-triazin-3(2H)-one 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one 6-methyl-4-{[(1E)-pyridin-3-ylmethylene]amino}-4,5-dihydro-1,2,4-triazin-3(2H)-one 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-((E)-(3-pyridinylmethylene)amino)- CGA 215944 HSDB 7054 Pymetrozine [ISO:BSI] DTXSID2032637 UNII-F0G3V7874J EINECS Annex I Index 613-202-00-4 PYMETROZINE [MI] PYMETROZINE [ISO] PYMETROZINE [HSDB] SCHEMBL26437 SCHEMBL26438 CHEMBL1906026 DTXCID0012637 AMY3563 HY-B0821 Tox21_300879 AKOS015913530 AC-9080 CS-5903 KS-5371 1,2,4-Triazin-3(2H)-one, 4,5-dihydro-6-methyl-4-((3-pyridinylmethylene)amino)-, (E)- NCGC00164310-01 NCGC00168332-01 NCGC00168332-02 NCGC00254783-01 CAS-123312-89-0 Pymetrozin, PESTANAL(R), analytical standard C18590 A805042 J-004909 (e)-4,5-dihydro-6-methyl-4-(3-pyridylmethyleneamino)-1,2,4-triazin-3(2h)-one 4,5-DIHYDRO-6-METHYL-4-((E)-(3-PYRIDINYLMETHYLENE)AMINO)-1,2,4-TRIAZIN-3(2H)-ONE |
Computed Descriptors
| IUPAC Name | 6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one |
| SMILES | CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2 |
| Canonical SMILES | CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2 |
| InChI | InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+ |
| InChIKey | QHMTXANCGGJZRX-WUXMJOGZSA-N |
Computed Properties
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| Molecular Weight | 217.23 g/mol |
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 217.096 |
| Monoisotopic Mass | 217.096 |
| Topological Polar Surface Area | 70 |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 325 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
4 pairs of Verified P450 and Pymetrozine
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Bemisia tabaci | CYP6CM1 | X | |
| Nilaparvata lugens | CYP6CS1 | R | |
| Nilaparvata lugens | CYP6CS1 | R | |
| Sogatella furcifera | CYP6FJ3 | R,D |