2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

C17H28N4O2 — CID 126913537

IUPAC2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C17H28N4O2/c22-16-5-4-8-18-21(16)14-13-19-9-11-20(12-10-19)15-17(23)6-2-1-3-7-17/h4-5,8,23H,1-3,6-7,9-15H2
InChIKeyPMTNHIDGDPQWJU-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.56
Rot. Bonds5

About 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913537) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913537
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C17H28N4O2/c22-16-5-4-8-18-21(16)14-13-19-9-11-20(12-10-19)15-17(23)6-2-1-3-7-17/h4-5,8,23H,1-3,6-7,9-15H2
InChIKeyPMTNHIDGDPQWJU-UHFFFAOYSA-N
XLogP0.56
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913537) is 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is PMTNHIDGDPQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-16-5-4-8-18-21(16)14-13-19-9-11-20(12-10-19)15-17(23)6-2-1-3-7-17/h4-5,8,23H,1-3,6-7,9-15H2.
What are the key properties of 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 320.44 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).