2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one

C6H6AlF3N2O — CID 146714322

IUPAC2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1nn([AlH2])c(=O)cc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O.Al.2H/c1-3-4(6(7,8)9)2-5(12)11-10-3;;;/h2H,1H3,(H,11,12);;;/q;+1;;/p-1
InChIKeyRDAHFFQOMPHWHS-UHFFFAOYSA-M
MW206.10 g/mol
LogP-0.03
Rot. Bonds

About 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one

2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 146714322) has the molecular formula C6H6AlF3N2O and a molecular weight of 206.10 g/mol. Its IUPAC name is 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID146714322
Molecular FormulaC6H6AlF3N2O
Molecular Weight206.10 g/mol
Exact Mass206.02
IUPAC Name2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1nn([AlH2])c(=O)cc1C(F)(F)F
InChIInChI=1S/C6H5F3N2O.Al.2H/c1-3-4(6(7,8)9)2-5(12)11-10-3;;;/h2H,1H3,(H,11,12);;;/q;+1;;/p-1
InChIKeyRDAHFFQOMPHWHS-UHFFFAOYSA-M
XLogP-0.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one (CID 146714322) is 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one is Cc1nn([AlH2])c(=O)cc1C(F)(F)F.
What is the InChIKey of 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is RDAHFFQOMPHWHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5F3N2O.Al.2H/c1-3-4(6(7,8)9)2-5(12)11-10-3;;;/h2H,1H3,(H,11,12);;;/q;+1;;/p-1.
What are the key properties of 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one?
2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 206.10 g/mol, XLogP of -0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 146714322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).