5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one

C10H15IN2O2 — CID 106455795

IUPAC5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O2/c1-8(2)7-15-4-3-13-10(14)5-9(11)6-12-13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXCTNOVTYMYGWBX-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.52
Rot. Bonds5

About 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one

5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (PubChem CID 106455795) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
PubChem CID106455795
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
SMILESCC(C)COCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O2/c1-8(2)7-15-4-3-13-10(14)5-9(11)6-12-13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyXCTNOVTYMYGWBX-UHFFFAOYSA-N
XLogP1.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.52
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

5-Iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 114553648
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-Iodo-2-[3-(2-methoxyethoxy)propyl]pyridazin-3-one
CID 103411698
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
2-[2-(2-Aminoethoxy)ethyl]-5-methylpyridazin-3-one
CID 106548741
2-(2-Ethoxyethyl)-5-iodopyridazin-3-one
CID 114553305
2-(3-Ethoxypropyl)-5-iodopyridazin-3-one
CID 114553355
2-[2-[2-(2-Butoxyethoxy)ethoxy]ethyl]-5-iodopyridazin-3-one
CID 114553363
5-Iodo-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 114553393
5-Iodo-2-(1-methoxypropan-2-yl)pyridazin-3-one
CID 114553408
5-Iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 114553434

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one (CID 106455795) is 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is CC(C)COCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
The InChIKey is XCTNOVTYMYGWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-8(2)7-15-4-3-13-10(14)5-9(11)6-12-13/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one?
5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one has a molecular weight of 322.15 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 106455795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).