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

C12H21N3O — CID 103218427

IUPAC5-amino-2-(2-ethylhexyl)pyridazin-3-one
SMILESCCCCC(CC)Cn1ncc(N)cc1=O
InChIInChI=1S/C12H21N3O/c1-3-5-6-10(4-2)9-15-12(16)7-11(13)8-14-15/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyHPIHLTZQARJFEI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.04
Rot. Bonds6

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

5-amino-2-(2-ethylhexyl)pyridazin-3-one (PubChem CID 103218427) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-amino-2-(2-ethylhexyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-ethylhexyl)pyridazin-3-one
PubChem CID103218427
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-amino-2-(2-ethylhexyl)pyridazin-3-one
SMILESCCCCC(CC)Cn1ncc(N)cc1=O
InChIInChI=1S/C12H21N3O/c1-3-5-6-10(4-2)9-15-12(16)7-11(13)8-14-15/h7-8,10H,3-6,9,13H2,1-2H3
InChIKeyHPIHLTZQARJFEI-UHFFFAOYSA-N
XLogP2.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylamino-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353686
2-[(3,3-Difluorocyclohexyl)methyl]-5-(methylamino)pyridazin-3-one
CID 114226080
2-[(3,3-Difluorocyclopentyl)methyl]-5-(ethylamino)pyridazin-3-one
CID 114226081
4-(4-methylpentylamino)-1H-pyridazin-6-one
CID 114392023
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyridazin-6-one
CID 102916228
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-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-Amino-2-(cyclohexylmethyl)pyridazin-3-one
CID 103218173

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylhexyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-ethylhexyl)pyridazin-3-one (CID 103218427) is 5-amino-2-(2-ethylhexyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-ethylhexyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-ethylhexyl)pyridazin-3-one is CCCCC(CC)Cn1ncc(N)cc1=O.
What is the InChIKey of 5-amino-2-(2-ethylhexyl)pyridazin-3-one?
The InChIKey is HPIHLTZQARJFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-6-10(4-2)9-15-12(16)7-11(13)8-14-15/h7-8,10H,3-6,9,13H2,1-2H3.
What are the key properties of 5-amino-2-(2-ethylhexyl)pyridazin-3-one?
5-amino-2-(2-ethylhexyl)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylhexyl)pyridazin-3-one is sourced from PubChem (CID 103218427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).