2-(2-butoxyethyl)-5-iodopyridazin-3-one

C10H15IN2O2 — CID 114553643

IUPAC2-(2-butoxyethyl)-5-iodopyridazin-3-one
SMILESCCCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O2/c1-2-3-5-15-6-4-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3
InChIKeyAOQIPDFTRWOYQS-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.66
Rot. Bonds6

About 2-(2-butoxyethyl)-5-iodopyridazin-3-one

2-(2-butoxyethyl)-5-iodopyridazin-3-one (PubChem CID 114553643) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-5-iodopyridazin-3-one.

Molecular Properties

Compound Name2-(2-butoxyethyl)-5-iodopyridazin-3-one
PubChem CID114553643
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name2-(2-butoxyethyl)-5-iodopyridazin-3-one
SMILESCCCCOCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O2/c1-2-3-5-15-6-4-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3
InChIKeyAOQIPDFTRWOYQS-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethyl]-5-iodopyridazin-3-one
CID 114553601
2-(2-butoxyethyl)-5-(cyclobutylamino)pyridazin-3-one
CID 103220724
2-(ethoxymethyl)-5-iodopyridazin-3-one
CID 114553389
4,5-dibromo-2-(2-butoxyethyl)pyridazin-3-one
CID 115587307
2-(6-hydroxyhexyl)-5-iodopyridazin-3-one
CID 107706035
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methyl-1,2,4-triazol-3-one
CID 116626782
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
CID 104567537
3-(2-butoxyethyl)-5-iodo-1,3-benzoxazol-2-one
CID 79788147
5-(2-aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(butoxymethyl)-1-ethyl-4-iodopyrazole
CID 122170999
5-(butoxymethyl)-4-iodo-1-methylpyrazole
CID 122170998
2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
CID 103219492

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-5-iodopyridazin-3-one?
The IUPAC name of 2-(2-butoxyethyl)-5-iodopyridazin-3-one (CID 114553643) is 2-(2-butoxyethyl)-5-iodopyridazin-3-one.
What is the SMILES notation for 2-(2-butoxyethyl)-5-iodopyridazin-3-one?
The canonical SMILES for 2-(2-butoxyethyl)-5-iodopyridazin-3-one is CCCCOCCn1ncc(I)cc1=O.
What is the InChIKey of 2-(2-butoxyethyl)-5-iodopyridazin-3-one?
The InChIKey is AOQIPDFTRWOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-2-3-5-15-6-4-13-10(14)7-9(11)8-12-13/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-butoxyethyl)-5-iodopyridazin-3-one?
2-(2-butoxyethyl)-5-iodopyridazin-3-one has a molecular weight of 322.15 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethyl)-5-iodopyridazin-3-one is sourced from PubChem (CID 114553643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).