2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C12H19N3O3 — CID 104920983

IUPAC2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(C[C@H](C)O)c(=O)c2)C1
InChIInChI=1S/C12H19N3O3/c1-9(16)7-15-12(17)5-10(6-13-15)14-4-3-11(8-14)18-2/h5-6,9,11,16H,3-4,7-8H2,1-2H3/t9-,11?/m0/s1
InChIKeyXTVFKHJKSNSAQC-FTNKSUMCSA-N
MW253.30 g/mol
LogP-0.15
Rot. Bonds4

About 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 104920983) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID104920983
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(C[C@H](C)O)c(=O)c2)C1
InChIInChI=1S/C12H19N3O3/c1-9(16)7-15-12(17)5-10(6-13-15)14-4-3-11(8-14)18-2/h5-6,9,11,16H,3-4,7-8H2,1-2H3/t9-,11?/m0/s1
InChIKeyXTVFKHJKSNSAQC-FTNKSUMCSA-N
XLogP-0.15
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
2-Fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 113579366
Trifluoro-[3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 113872707
Ethyl 2-fluoro-2-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114394178
Trifluoro-[[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398781
5-(Dimethylamino)-2-(3-fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165601120
4-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]-1H-pyridazin-6-one
CID 176050808
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 102735294
2-[2-(Chloromethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 103065892
2-[2-(Aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 103073104
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 103073105
5-(3-Methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073106

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 104920983) is 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn(C[C@H](C)O)c(=O)c2)C1.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is XTVFKHJKSNSAQC-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(16)7-15-12(17)5-10(6-13-15)14-4-3-11(8-14)18-2/h5-6,9,11,16H,3-4,7-8H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 104920983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).