azepan-1-yl-(5-ethylpyridazin-3-yl)methanone

C13H19N3O — CID 59382392

IUPACazepan-1-yl-(5-ethylpyridazin-3-yl)methanone
SMILESCCc1cnnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C13H19N3O/c1-2-11-9-12(15-14-10-11)13(17)16-7-5-3-4-6-8-16/h9-10H,2-8H2,1H3
InChIKeyIZIVUBGZHNBMIR-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds2

About azepan-1-yl-(5-ethylpyridazin-3-yl)methanone

azepan-1-yl-(5-ethylpyridazin-3-yl)methanone (PubChem CID 59382392) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is azepan-1-yl-(5-ethylpyridazin-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(5-ethylpyridazin-3-yl)methanone
PubChem CID59382392
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Nameazepan-1-yl-(5-ethylpyridazin-3-yl)methanone
SMILESCCc1cnnc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C13H19N3O/c1-2-11-9-12(15-14-10-11)13(17)16-7-5-3-4-6-8-16/h9-10H,2-8H2,1H3
InChIKeyIZIVUBGZHNBMIR-UHFFFAOYSA-N
XLogP2.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(5-ethylpyridazin-3-yl)methanone?
The IUPAC name of azepan-1-yl-(5-ethylpyridazin-3-yl)methanone (CID 59382392) is azepan-1-yl-(5-ethylpyridazin-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(5-ethylpyridazin-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(5-ethylpyridazin-3-yl)methanone is CCc1cnnc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-(5-ethylpyridazin-3-yl)methanone?
The InChIKey is IZIVUBGZHNBMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-11-9-12(15-14-10-11)13(17)16-7-5-3-4-6-8-16/h9-10H,2-8H2,1H3.
What are the key properties of azepan-1-yl-(5-ethylpyridazin-3-yl)methanone?
azepan-1-yl-(5-ethylpyridazin-3-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(5-ethylpyridazin-3-yl)methanone is sourced from PubChem (CID 59382392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).