5-chloro-2-(cyclohexylmethyl)pyridazin-3-one

C11H15ClN2O — CID 19104993

IUPAC5-chloro-2-(cyclohexylmethyl)pyridazin-3-one
SMILESO=c1cc(Cl)cnn1CC1CCCCC1
InChIInChI=1S/C11H15ClN2O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyFROPXZFERUBAJM-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.48
Rot. Bonds2

About 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one

5-chloro-2-(cyclohexylmethyl)pyridazin-3-one (PubChem CID 19104993) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclohexylmethyl)pyridazin-3-one
PubChem CID19104993
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name5-chloro-2-(cyclohexylmethyl)pyridazin-3-one
SMILESO=c1cc(Cl)cnn1CC1CCCCC1
InChIInChI=1S/C11H15ClN2O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2
InChIKeyFROPXZFERUBAJM-UHFFFAOYSA-N
XLogP2.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one (CID 19104993) is 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one is O=c1cc(Cl)cnn1CC1CCCCC1.
What is the InChIKey of 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one?
The InChIKey is FROPXZFERUBAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-6-11(15)14(13-7-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2.
What are the key properties of 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one?
5-chloro-2-(cyclohexylmethyl)pyridazin-3-one has a molecular weight of 226.71 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclohexylmethyl)pyridazin-3-one is sourced from PubChem (CID 19104993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).