5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

C10H17N3O2 — CID 114396371

IUPAC5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-8(7-14)6-13-10(15)4-9(5-11-13)12(2)3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyRPTFKRTXIPVYIX-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.06
Rot. Bonds4

About 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one

5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (PubChem CID 114396371) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
PubChem CID114396371
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
SMILESCC(CO)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-8(7-14)6-13-10(15)4-9(5-11-13)12(2)3/h4-5,8,14H,6-7H2,1-3H3
InChIKeyRPTFKRTXIPVYIX-UHFFFAOYSA-N
XLogP-0.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypropyl)-5-(4-methyl-1,4-diazepan-1-yl)-3(2H)-pyridazinone
CID 29151857
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
2-(3-Hydroxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218540
2-(3-Hydroxy-2-methylpropyl)-5-(methylamino)pyridazin-3-one
CID 103218601
5-(Ethylamino)-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218955
5-(Ethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103219042
2-(3-Hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219396
2-(3-Hydroxy-2-methylpropyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219473
5-(Cyclopropylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103219864
2-(3-Hydroxypropyl)-5-(propylamino)pyridazin-3-one
CID 103220155
2-(3-Hydroxy-2-methylpropyl)-5-(propylamino)pyridazin-3-one
CID 103220216

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one (CID 114396371) is 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is CC(CO)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
The InChIKey is RPTFKRTXIPVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(7-14)6-13-10(15)4-9(5-11-13)12(2)3/h4-5,8,14H,6-7H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one?
5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114396371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).