1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile

C6H3AlF3N3O — CID 152785759

IUPAC1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile
SMILESN#Cc1nn([AlH2])c(=O)cc1C(F)(F)F
InChIInChI=1S/C6H2F3N3O.Al.2H/c7-6(8,9)3-1-5(13)12-11-4(3)2-10;;;/h1H,(H,12,13);;;/q;+1;;/p-1
InChIKeyRWXODLOPGIOICZ-UHFFFAOYSA-M
MW217.09 g/mol
LogP-0.47
Rot. Bonds

About 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile

1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile (PubChem CID 152785759) has the molecular formula C6H3AlF3N3O and a molecular weight of 217.09 g/mol. Its IUPAC name is 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile
PubChem CID152785759
Molecular FormulaC6H3AlF3N3O
Molecular Weight217.09 g/mol
Exact Mass217.00
IUPAC Name1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile
SMILESN#Cc1nn([AlH2])c(=O)cc1C(F)(F)F
InChIInChI=1S/C6H2F3N3O.Al.2H/c7-6(8,9)3-1-5(13)12-11-4(3)2-10;;;/h1H,(H,12,13);;;/q;+1;;/p-1
InChIKeyRWXODLOPGIOICZ-UHFFFAOYSA-M
XLogP-0.47
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Alumanyl-6-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 146714322

Frequently Asked Questions

What is the IUPAC name of 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile?
The IUPAC name of 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile (CID 152785759) is 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile.
What is the SMILES notation for 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile?
The canonical SMILES for 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile is N#Cc1nn([AlH2])c(=O)cc1C(F)(F)F.
What is the InChIKey of 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile?
The InChIKey is RWXODLOPGIOICZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2F3N3O.Al.2H/c7-6(8,9)3-1-5(13)12-11-4(3)2-10;;;/h1H,(H,12,13);;;/q;+1;;/p-1.
What are the key properties of 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile?
1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile has a molecular weight of 217.09 g/mol, XLogP of -0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-alumanyl-6-oxo-4-(trifluoromethyl)pyridazine-3-carbonitrile is sourced from PubChem (CID 152785759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).