5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one

C14H25N3O — CID 72853311

IUPAC5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
SMILESCCCCC(CC)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H25N3O/c1-5-7-8-12(6-2)11-17-14(18)9-13(10-15-17)16(3)4/h9-10,12H,5-8,11H2,1-4H3
InChIKeySUJGVYUVIMWOEM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.53
Rot. Bonds7

About 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one

5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one (PubChem CID 72853311) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
PubChem CID72853311
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
SMILESCCCCC(CC)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C14H25N3O/c1-5-7-8-12(6-2)11-17-14(18)9-13(10-15-17)16(3)4/h9-10,12H,5-8,11H2,1-4H3
InChIKeySUJGVYUVIMWOEM-UHFFFAOYSA-N
XLogP2.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-dimethylamino-2-(3,3,5,5-tetramethyl-cyclohexyl)-2H-pyridazin-3-one
CID 53353778
2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
N,N-dimethyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202142
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
5-[4-(cyclopentylmethyl)piperazin-1-yl]-2-methylpyridazin-3(2H)-one
CID 77085835
5-Amino-2-nonylpyridazin-3-one
CID 103218165
5-Amino-2-heptylpyridazin-3-one
CID 103218166
5-Amino-2-hexylpyridazin-3-one
CID 103218167
5-Amino-2-(cyclohexylmethyl)pyridazin-3-one
CID 103218173
5-Amino-2-octylpyridazin-3-one
CID 103218208
5-Amino-2-decylpyridazin-3-one
CID 103218251
5-Amino-2-(cyclopentylmethyl)pyridazin-3-one
CID 103218285

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one (CID 72853311) is 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one is CCCCC(CC)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one?
The InChIKey is SUJGVYUVIMWOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-7-8-12(6-2)11-17-14(18)9-13(10-15-17)16(3)4/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one?
5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one is sourced from PubChem (CID 72853311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).