2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

C14H22N4O2 — CID 102735285

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-16-5-7-17(8-6-16)11-9-14(20)18(15-10-11)12-3-2-4-13(12)19/h9-10,12-13,19H,2-8H2,1H3/t12-,13-/m0/s1
InChIKeyVVCCDGUXLFPLDN-STQMWFEESA-N
MW278.36 g/mol
LogP0.08
Rot. Bonds2

About 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (PubChem CID 102735285) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
PubChem CID102735285
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
SMILESCN1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-16-5-7-17(8-6-16)11-9-14(20)18(15-10-11)12-3-2-4-13(12)19/h9-10,12-13,19H,2-8H2,1H3/t12-,13-/m0/s1
InChIKeyVVCCDGUXLFPLDN-STQMWFEESA-N
XLogP0.08
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one (CID 102735285) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is CN1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CC1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is VVCCDGUXLFPLDN-STQMWFEESA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-5-7-17(8-6-16)11-9-14(20)18(15-10-11)12-3-2-4-13(12)19/h9-10,12-13,19H,2-8H2,1H3/t12-,13-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 102735285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).