2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one

C14H24BrN3O — CID 114394356

IUPAC2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
SMILESCCCC(CBr)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H24BrN3O/c1-4-7-12(9-15)11-18-14(19)8-13(10-16-18)17(5-2)6-3/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyDDJSBXNRLOYGPT-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.90
Rot. Bonds8

About 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one

2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one (PubChem CID 114394356) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
PubChem CID114394356
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
SMILESCCCC(CBr)Cn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H24BrN3O/c1-4-7-12(9-15)11-18-14(19)8-13(10-16-18)17(5-2)6-3/h8,10,12H,4-7,9,11H2,1-3H3
InChIKeyDDJSBXNRLOYGPT-UHFFFAOYSA-N
XLogP2.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
2-[2-(bromomethyl)pentyl]pyridazin-3-one
CID 65010693
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 114399063
2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
CID 114397134
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one (CID 114394356) is 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one is CCCC(CBr)Cn1ncc(N(CC)CC)cc1=O.
What is the InChIKey of 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one?
The InChIKey is DDJSBXNRLOYGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-4-7-12(9-15)11-18-14(19)8-13(10-16-18)17(5-2)6-3/h8,10,12H,4-7,9,11H2,1-3H3.
What are the key properties of 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one?
2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one has a molecular weight of 330.27 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 114394356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).