5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one

C16H25N3O2 — CID 71920567

IUPAC5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCCCCCC2)c1CC
InChIInChI=1S/C16H25N3O2/c1-3-12-13(4-2)17-18-15(20)14(12)16(21)19-10-8-6-5-7-9-11-19/h3-11H2,1-2H3,(H,18,20)
InChIKeyXKNOPLKDHPBRRG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.30
Rot. Bonds3

About 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one

5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one (PubChem CID 71920567) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
PubChem CID71920567
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C(=O)N2CCCCCCC2)c1CC
InChIInChI=1S/C16H25N3O2/c1-3-12-13(4-2)17-18-15(20)14(12)16(21)19-10-8-6-5-7-9-11-19/h3-11H2,1-2H3,(H,18,20)
InChIKeyXKNOPLKDHPBRRG-UHFFFAOYSA-N
XLogP2.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
The IUPAC name of 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one (CID 71920567) is 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(C(=O)N2CCCCCCC2)c1CC.
What is the InChIKey of 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
The InChIKey is XKNOPLKDHPBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-12-13(4-2)17-18-15(20)14(12)16(21)19-10-8-6-5-7-9-11-19/h3-11H2,1-2H3,(H,18,20).
What are the key properties of 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one?
5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one has a molecular weight of 291.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocane-1-carbonyl)-3,4-diethyl-1H-pyridazin-6-one is sourced from PubChem (CID 71920567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).