hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione

C57H46F6N14O6 — CID 172963723

IUPAChydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione
SMILESC/C(=N\Oc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CC(=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CO.NN.O=C1c2ccccc2C(=O)N1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F3N6O.C17H13N5O.C15H8F3NO3.CH4O.H4N2/c1-15(32-34-19-6-2-5-18(14-19)24(25,26)27)20-9-10-22-29-30-23(33(22)31-20)13-16-7-8-21-17(12-16)4-3-11-28-21;1-11(23)14-6-7-16-19-20-17(22(16)21-14)10-12-4-5-15-13(9-12)3-2-8-18-15;16-15(17,18)9-4-3-5-10(8-9)22-19-13(20)11-6-1-2-7-12(11)14(19)21;2*1-2/h2-12,14H,13H2,1H3;2-9H,10H2,1H3;1-8H;2H,1H3;1-2H2/b32-15+;;;;
InChIKeyBZYSSLDRRAZNBQ-HHNGMSNQSA-N
MW1137.07 g/mol
LogP9.27
Rot. Bonds10

About hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione

hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione (PubChem CID 172963723) has the molecular formula C57H46F6N14O6 and a molecular weight of 1137.07 g/mol. Its IUPAC name is hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Namehydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione
PubChem CID172963723
Molecular FormulaC57H46F6N14O6
Molecular Weight1137.07 g/mol
Exact Mass1136.36
IUPAC Namehydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione
SMILESC/C(=N\Oc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CC(=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CO.NN.O=C1c2ccccc2C(=O)N1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F3N6O.C17H13N5O.C15H8F3NO3.CH4O.H4N2/c1-15(32-34-19-6-2-5-18(14-19)24(25,26)27)20-9-10-22-29-30-23(33(22)31-20)13-16-7-8-21-17(12-16)4-3-11-28-21;1-11(23)14-6-7-16-19-20-17(22(16)21-14)10-12-4-5-15-13(9-12)3-2-8-18-15;16-15(17,18)9-4-3-5-10(8-9)22-19-13(20)11-6-1-2-7-12(11)14(19)21;2*1-2/h2-12,14H,13H2,1H3;2-9H,10H2,1H3;1-8H;2H,1H3;1-2H2/b32-15+;;;;
InChIKeyBZYSSLDRRAZNBQ-HHNGMSNQSA-N
XLogP9.27
TPSA269.48 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001137.07
LogP ≤ 59.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
The IUPAC name of hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione (CID 172963723) is hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione.
What is the SMILES notation for hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
The canonical SMILES for hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione is C/C(=N\Oc1cccc(C(F)(F)F)c1)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CC(=O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.CO.NN.O=C1c2ccccc2C(=O)N1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
The InChIKey is BZYSSLDRRAZNBQ-HHNGMSNQSA-N. The full InChI is InChI=1S/C24H17F3N6O.C17H13N5O.C15H8F3NO3.CH4O.H4N2/c1-15(32-34-19-6-2-5-18(14-19)24(25,26)27)20-9-10-22-29-30-23(33(22)31-20)13-16-7-8-21-17(12-16)4-3-11-28-21;1-11(23)14-6-7-16-19-20-17(22(16)21-14)10-12-4-5-15-13(9-12)3-2-8-18-15;16-15(17,18)9-4-3-5-10(8-9)22-19-13(20)11-6-1-2-7-12(11)14(19)21;2*1-2/h2-12,14H,13H2,1H3;2-9H,10H2,1H3;1-8H;2H,1H3;1-2H2/b32-15+;;;;.
What are the key properties of hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione?
hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione has a molecular weight of 1137.07 g/mol, XLogP of 9.27, 10 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;methanol;1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone;(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[3-(trifluoromethyl)phenoxy]ethanimine;2-[3-(trifluoromethyl)phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 172963723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).