5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one

C14H20N4O — CID 166307256

IUPAC5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one
SMILESO=c1c2nc[nH]c2cnn1CCC1CCCCCC1
InChIInChI=1S/C14H20N4O/c19-14-13-12(15-10-16-13)9-17-18(14)8-7-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,16)
InChIKeyORLKFSSTZVEGIA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds3

About 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one

5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one (PubChem CID 166307256) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one
PubChem CID166307256
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one
SMILESO=c1c2nc[nH]c2cnn1CCC1CCCCCC1
InChIInChI=1S/C14H20N4O/c19-14-13-12(15-10-16-13)9-17-18(14)8-7-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,16)
InChIKeyORLKFSSTZVEGIA-UHFFFAOYSA-N
XLogP2.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one (CID 166307256) is 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one is O=c1c2nc[nH]c2cnn1CCC1CCCCCC1.
What is the InChIKey of 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one?
The InChIKey is ORLKFSSTZVEGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14-13-12(15-10-16-13)9-17-18(14)8-7-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,15,16).
What are the key properties of 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one?
5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cycloheptylethyl)-1H-imidazo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 166307256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).