2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one

C15H23N3O2 — CID 126934501

IUPAC2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NC2CCCC2O)CC1
InChIInChI=1S/C15H23N3O2/c19-14-4-1-3-13(14)17-11-6-8-12(9-7-11)18-15(20)5-2-10-16-18/h2,5,10-14,17,19H,1,3-4,6-9H2
InChIKeyCRNJTQWANRPNFS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.23
Rot. Bonds3

About 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one

2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934501) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934501
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NC2CCCC2O)CC1
InChIInChI=1S/C15H23N3O2/c19-14-4-1-3-13(14)17-11-6-8-12(9-7-11)18-15(20)5-2-10-16-18/h2,5,10-14,17,19H,1,3-4,6-9H2
InChIKeyCRNJTQWANRPNFS-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one (CID 126934501) is 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(NC2CCCC2O)CC1.
What is the InChIKey of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is CRNJTQWANRPNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-4-1-3-13(14)17-11-6-8-12(9-7-11)18-15(20)5-2-10-16-18/h2,5,10-14,17,19H,1,3-4,6-9H2.
What are the key properties of 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclopentyl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).