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

C12H21N3O — CID 106708398

IUPAC2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one
SMILESCC(C)(CN)CCCCn1ncccc1=O
InChIInChI=1S/C12H21N3O/c1-12(2,10-13)7-3-4-9-15-11(16)6-5-8-14-15/h5-6,8H,3-4,7,9-10,13H2,1-2H3
InChIKeyMXGOHLJAERBGRC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.40
Rot. Bonds6

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

2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one (PubChem CID 106708398) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one
PubChem CID106708398
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one
SMILESCC(C)(CN)CCCCn1ncccc1=O
InChIInChI=1S/C12H21N3O/c1-12(2,10-13)7-3-4-9-15-11(16)6-5-8-14-15/h5-6,8H,3-4,7,9-10,13H2,1-2H3
InChIKeyMXGOHLJAERBGRC-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-5-(6-oxopyridazin-1-yl)pentanenitrile
CID 65257208
2-Hexan-2-ylpyridazin-3-one
CID 165135892
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(5-Methylhexan-2-ylamino)ethyl]pyridazin-3-one
CID 62848568
2-[2-(Pentylamino)ethyl]pyridazin-3-one
CID 62848748
2-[2-(Hexylamino)ethyl]pyridazin-3-one
CID 62848749
2-[4-(Ethylamino)butyl]pyridazin-3-one
CID 62849448
2-[2-(Ethylamino)-3,3-dimethylbutyl]pyridazin-3-one
CID 62849594
2-(2-Piperidin-3-ylethyl)pyridazin-3-one
CID 62849604
2-[4-(Propylamino)butyl]pyridazin-3-one
CID 62849624
2-(5-Aminopentyl)pyridazin-3-one
CID 62849770
2-[4-(2-Methylpropylamino)butyl]pyridazin-3-one
CID 62849801

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one?
The IUPAC name of 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one (CID 106708398) is 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one.
What is the SMILES notation for 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one?
The canonical SMILES for 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one is CC(C)(CN)CCCCn1ncccc1=O.
What is the InChIKey of 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one?
The InChIKey is MXGOHLJAERBGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2,10-13)7-3-4-9-15-11(16)6-5-8-14-15/h5-6,8H,3-4,7,9-10,13H2,1-2H3.
What are the key properties of 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one?
2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5,5-dimethylhexyl)pyridazin-3-one is sourced from PubChem (CID 106708398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).