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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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104927899
1-[1-(3,6-dimethylpyridazine-4-carbonyl)azepan-2-yl]propan-2-one
CID 104670553
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671402
(2-amino-6-methyl-3-pyridinyl)-cyclohexylmethanone
CID 177138344
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 113439189
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185

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).