2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one

C13H20N2O — CID 99844093

IUPAC2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one
SMILESC[C@@H]1CCC[C@H](CCn2ncccc2=O)C1
InChIInChI=1S/C13H20N2O/c1-11-4-2-5-12(10-11)7-9-15-13(16)6-3-8-14-15/h3,6,8,11-12H,2,4-5,7,9-10H2,1H3/t11-,12-/m1/s1
InChIKeyRZIXIEBXGSTWQJ-VXGBXAGGSA-N
MW220.32 g/mol
LogP2.46
Rot. Bonds3

About 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one

2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one (PubChem CID 99844093) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one
PubChem CID99844093
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one
SMILESC[C@@H]1CCC[C@H](CCn2ncccc2=O)C1
InChIInChI=1S/C13H20N2O/c1-11-4-2-5-12(10-11)7-9-15-13(16)6-3-8-14-15/h3,6,8,11-12H,2,4-5,7,9-10H2,1H3/t11-,12-/m1/s1
InChIKeyRZIXIEBXGSTWQJ-VXGBXAGGSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,4-Difluorocyclohexyl)methyl]pyridazin-3-one
CID 154760682
2-(2-Cyclohexylethyl)-5-iodopyridazin-3-one
CID 117793727
2-(3,3,5,5-Tetramethylcyclohexyl)pyridazin-3-one
CID 118413847
2-(Cyclopentylmethyl)pyridazin-3-one
CID 130616547
2-(7-Methyltridecan-7-yl)pyridazin-3-one
CID 132001418
2-(5-Methylundecan-5-yl)pyridazin-3-one
CID 132252355
2-(3-Methylnonan-3-yl)pyridazin-3-one
CID 132252422
2-[2-(Cyclohexylmethylamino)ethyl]pyridazin-3-one
CID 62850156
2-[[1-(Bromomethyl)cyclohexyl]methyl]pyridazin-3-one
CID 65002193
2-[2-[(1S,3S)-3-methylcyclohexyl]ethyl]pyridazin-3-one
CID 99844094
2-[2-[(1R,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one
CID 99844095
2-[2-[(1R,3S)-3-methylcyclohexyl]ethyl]pyridazin-3-one
CID 99844096

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one (CID 99844093) is 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one is C[C@@H]1CCC[C@H](CCn2ncccc2=O)C1.
What is the InChIKey of 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one?
The InChIKey is RZIXIEBXGSTWQJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-4-2-5-12(10-11)7-9-15-13(16)6-3-8-14-15/h3,6,8,11-12H,2,4-5,7,9-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one?
2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one has a molecular weight of 220.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]pyridazin-3-one is sourced from PubChem (CID 99844093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).