2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one

C16H30N4O — CID 106708469

IUPAC2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C16H30N4O/c1-5-19(6-2)14-11-15(21)20(18-12-14)10-8-7-9-16(3,4)13-17/h11-12H,5-10,13,17H2,1-4H3
InChIKeyNKPPWRBHZLXDKI-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.24
Rot. Bonds9

About 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one

2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one (PubChem CID 106708469) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one
PubChem CID106708469
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C16H30N4O/c1-5-19(6-2)14-11-15(21)20(18-12-14)10-8-7-9-16(3,4)13-17/h11-12H,5-10,13,17H2,1-4H3
InChIKeyNKPPWRBHZLXDKI-UHFFFAOYSA-N
XLogP2.24
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Propylamino)-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353779
3,3-Dimethyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924031
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3,3-dimethylbutanamide
CID 91924056
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2,2-dimethylbutanamide
CID 91924060
5-[4-(aminomethyl)-1-piperidinyl]-2-pentyl-3(2H)-pyridazinone trifluoroacetate
CID 28311411
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}butanamide
CID 70761647
5-(Dimethylamino)-2-(2-ethylhexyl)pyridazin-3-one
CID 72853311
2-[2-(Aminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 103073101
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 103073102
2-[2-(Methylaminomethyl)prop-2-enyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 103073103
5-Amino-2-hexylpyridazin-3-one
CID 103218167
5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one (CID 106708469) is 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(CCCCC(C)(C)CN)c(=O)c1.
What is the InChIKey of 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one?
The InChIKey is NKPPWRBHZLXDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-19(6-2)14-11-15(21)20(18-12-14)10-8-7-9-16(3,4)13-17/h11-12H,5-10,13,17H2,1-4H3.
What are the key properties of 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one?
2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one has a molecular weight of 294.44 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5,5-dimethylhexyl)-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 106708469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).