2-cyclohexylpyridazin-3-one

C10H14N2O — CID 70313378

IUPAC2-cyclohexylpyridazin-3-one
SMILESO=c1cccnn1C1CCCCC1
InChIInChI=1S/C10H14N2O/c13-10-7-4-8-11-12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeySZKQFPBMGOLUHX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.75
Rot. Bonds1

About 2-cyclohexylpyridazin-3-one

2-cyclohexylpyridazin-3-one (PubChem CID 70313378) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-cyclohexylpyridazin-3-one.

Molecular Properties

Compound Name2-cyclohexylpyridazin-3-one
PubChem CID70313378
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-cyclohexylpyridazin-3-one
SMILESO=c1cccnn1C1CCCCC1
InChIInChI=1S/C10H14N2O/c13-10-7-4-8-11-12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeySZKQFPBMGOLUHX-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpyridazin-3-one?
The IUPAC name of 2-cyclohexylpyridazin-3-one (CID 70313378) is 2-cyclohexylpyridazin-3-one.
What is the SMILES notation for 2-cyclohexylpyridazin-3-one?
The canonical SMILES for 2-cyclohexylpyridazin-3-one is O=c1cccnn1C1CCCCC1.
What is the InChIKey of 2-cyclohexylpyridazin-3-one?
The InChIKey is SZKQFPBMGOLUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-7-4-8-11-12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 2-cyclohexylpyridazin-3-one?
2-cyclohexylpyridazin-3-one has a molecular weight of 178.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpyridazin-3-one is sourced from PubChem (CID 70313378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).