cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone

C14H20N2O — CID 105124937

IUPACcycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)C2CCCCCC2)c(C)nn1
InChIInChI=1S/C14H20N2O/c1-10-9-13(11(2)16-15-10)14(17)12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3
InChIKeyLMZLKDCSEZAXIG-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.25
Rot. Bonds2

About cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone

cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 105124937) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID105124937
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Namecycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)C2CCCCCC2)c(C)nn1
InChIInChI=1S/C14H20N2O/c1-10-9-13(11(2)16-15-10)14(17)12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3
InChIKeyLMZLKDCSEZAXIG-UHFFFAOYSA-N
XLogP3.25
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone (CID 105124937) is cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)C2CCCCCC2)c(C)nn1.
What is the InChIKey of cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is LMZLKDCSEZAXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-9-13(11(2)16-15-10)14(17)12-7-5-3-4-6-8-12/h9,12H,3-8H2,1-2H3.
What are the key properties of cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone?
cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 105124937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).