5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one

C9H15N3O2 — CID 104920967

IUPAC5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
SMILESC[C@H](O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-7(13)6-12-9(14)4-8(5-10-12)11(2)3/h4-5,7,13H,6H2,1-3H3/t7-/m0/s1
InChIKeyWENLDRSMAXVNTJ-ZETCQYMHSA-N
MW197.24 g/mol
LogP-0.31
Rot. Bonds3

About 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one

5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one (PubChem CID 104920967) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
PubChem CID104920967
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
SMILESC[C@H](O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C9H15N3O2/c1-7(13)6-12-9(14)4-8(5-10-12)11(2)3/h4-5,7,13H,6H2,1-3H3/t7-/m0/s1
InChIKeyWENLDRSMAXVNTJ-ZETCQYMHSA-N
XLogP-0.31
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
CID 107506433
2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114394568
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
5-(2-aminopropoxy)-2-(2-hydroxypropyl)pyridazin-3-one
CID 103223050

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one (CID 104920967) is 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one is C[C@H](O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The InChIKey is WENLDRSMAXVNTJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(13)6-12-9(14)4-8(5-10-12)11(2)3/h4-5,7,13H,6H2,1-3H3/t7-/m0/s1.
What are the key properties of 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one has a molecular weight of 197.24 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one is sourced from PubChem (CID 104920967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).