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

C9H14ClN3O2 — CID 114394221

IUPAC2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)CCl)c(=O)c1
InChIInChI=1S/C9H14ClN3O2/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10/h3,5,8,14H,4,6H2,1-2H3
InChIKeyAARBFULRBRIWQK-UHFFFAOYSA-N
MW231.68 g/mol
LogP-0.09
Rot. Bonds4

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

2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one (PubChem CID 114394221) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
PubChem CID114394221
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(O)CCl)c(=O)c1
InChIInChI=1S/C9H14ClN3O2/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10/h3,5,8,14H,4,6H2,1-2H3
InChIKeyAARBFULRBRIWQK-UHFFFAOYSA-N
XLogP-0.09
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 5-0.09
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
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
2-[(2R)-2-hydroxypropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 104920976
2-[(2S)-2-hydroxypropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 104920977

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one (CID 114394221) is 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC(O)CCl)c(=O)c1.
What is the InChIKey of 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
The InChIKey is AARBFULRBRIWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-12(2)7-3-9(15)13(11-5-7)6-8(14)4-10/h3,5,8,14H,4,6H2,1-2H3.
What are the key properties of 2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one?
2-(3-chloro-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one has a molecular weight of 231.68 g/mol, XLogP of -0.09, 4 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-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114394221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).