2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one

C11H18ClN3O2 — CID 114394357

IUPAC2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(O)CCl)c(=O)c1
InChIInChI=1S/C11H18ClN3O2/c1-3-14(4-2)9-5-11(17)15(13-7-9)8-10(16)6-12/h5,7,10,16H,3-4,6,8H2,1-2H3
InChIKeyBBPWAYKCXLPYKI-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.69
Rot. Bonds6

About 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one

2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one (PubChem CID 114394357) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one
PubChem CID114394357
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CC(O)CCl)c(=O)c1
InChIInChI=1S/C11H18ClN3O2/c1-3-14(4-2)9-5-11(17)15(13-7-9)8-10(16)6-12/h5,7,10,16H,3-4,6,8H2,1-2H3
InChIKeyBBPWAYKCXLPYKI-UHFFFAOYSA-N
XLogP0.69
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(Dimethylamino)-2-(3-fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165601120
2-[2-(Chloromethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103065885
2-[(2R)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 104920964
2-[(2S)-2-hydroxypropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 104920965
5-(dimethylamino)-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920966
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
2-[(2R)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 104920969
2-[(2S)-2-hydroxypropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 104920970
5-[ethyl(methyl)amino]-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920971
5-[ethyl(methyl)amino]-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920972
5-(diethylamino)-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920973
5-(diethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920974

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one (CID 114394357) is 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(CC(O)CCl)c(=O)c1.
What is the InChIKey of 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one?
The InChIKey is BBPWAYKCXLPYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-14(4-2)9-5-11(17)15(13-7-9)8-10(16)6-12/h5,7,10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one?
2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one has a molecular weight of 259.74 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxypropyl)-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 114394357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).