4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one

C14H20ClN3O3 — CID 138472198

IUPAC4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(O)CC2)cnn1C1CCCCO1
InChIInChI=1S/C14H20ClN3O3/c15-13-11(17-6-4-10(19)5-7-17)9-16-18(14(13)20)12-3-1-2-8-21-12/h9-10,12,19H,1-8H2
InChIKeyMCAVXYZUMYQVAY-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.56
Rot. Bonds2

About 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one

4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 138472198) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one
PubChem CID138472198
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(O)CC2)cnn1C1CCCCO1
InChIInChI=1S/C14H20ClN3O3/c15-13-11(17-6-4-10(19)5-7-17)9-16-18(14(13)20)12-3-1-2-8-21-12/h9-10,12,19H,1-8H2
InChIKeyMCAVXYZUMYQVAY-UHFFFAOYSA-N
XLogP1.56
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
CID 54704159
4,5-dichloro-2-[(2R)-oxan-2-yl]pyridazin-3-one
CID 97110887
5-[(3R)-3-[(4-bromo-5-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-4-chloro-2-(oxan-2-yl)pyridazin-3-one
CID 164761669
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
4-chloro-5-[4-[(2-ethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 167068745
4-chloro-2-(oxan-2-yl)-5-[4-[[6-oxo-1-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 138471960
4-chloro-5-[4-[(1S)-1-(2-ethyl-3-pyridinyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 164771779
4-chloro-5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(oxan-2-yl)pyridazin-3-one;methyl 4-[[(3R)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]oxycarbonylamino]bicyclo[2.2.1]heptane-1-carboxylate
CID 162205547
4-chloro-2-(oxan-2-yl)-5-[3-[2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pyridazin-3-one
CID 169023491
4-chloro-2-(oxan-2-yl)-5-[1-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pyridazin-3-one
CID 138472297
4-chloro-5-[3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 167528623
4-chloro-2-(oxan-2-yl)-5-[1-[[2-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pyridazin-3-one
CID 138483946

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one (CID 138472198) is 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one is O=c1c(Cl)c(N2CCC(O)CC2)cnn1C1CCCCO1.
What is the InChIKey of 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is MCAVXYZUMYQVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c15-13-11(17-6-4-10(19)5-7-17)9-16-18(14(13)20)12-3-1-2-8-21-12/h9-10,12,19H,1-8H2.
What are the key properties of 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one?
4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 313.79 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-hydroxypiperidin-1-yl)-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 138472198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).