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

C14H21N3O2 — CID 126934492

IUPAC2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NC2CCC2O)CC1
InChIInChI=1S/C14H21N3O2/c18-13-8-7-12(13)16-10-3-5-11(6-4-10)17-14(19)2-1-9-15-17/h1-2,9-13,16,18H,3-8H2
InChIKeyRXIIPJAJJYDXQE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds3

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

2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934492) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934492
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NC2CCC2O)CC1
InChIInChI=1S/C14H21N3O2/c18-13-8-7-12(13)16-10-3-5-11(6-4-10)17-14(19)2-1-9-15-17/h1-2,9-13,16,18H,3-8H2
InChIKeyRXIIPJAJJYDXQE-UHFFFAOYSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one (CID 126934492) is 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(NC2CCC2O)CC1.
What is the InChIKey of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is RXIIPJAJJYDXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-8-7-12(13)16-10-3-5-11(6-4-10)17-14(19)2-1-9-15-17/h1-2,9-13,16,18H,3-8H2.
What are the key properties of 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one?
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).