5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one

C10H15IN2O2 — CID 114553730

IUPAC5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
SMILESCC(C)(C)OCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O2/c1-10(2,3)15-5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5H2,1-3H3
InChIKeyVKBGVSBNIZDBMW-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.66
Rot. Bonds3

About 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one

5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one (PubChem CID 114553730) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
PubChem CID114553730
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one
SMILESCC(C)(C)OCCn1ncc(I)cc1=O
InChIInChI=1S/C10H15IN2O2/c1-10(2,3)15-5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5H2,1-3H3
InChIKeyVKBGVSBNIZDBMW-UHFFFAOYSA-N
XLogP1.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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': '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-Ethoxyethyl)-5-hydroxypyridazin-3-one
CID 57059473
2-(2-methoxy-ethyl)-5-methoxy-2H-pyridazin-3-one
CID 66865610
2-(2-Methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
5-Iodo-2-(3-methoxy-3-methylbutyl)pyridazin-3-one
CID 103036351
5-Iodo-2-[2-(3-methoxypropoxy)ethyl]pyridazin-3-one
CID 103182082
5-Iodo-2-[2-(2-methylpropoxy)ethyl]pyridazin-3-one
CID 106455795
5-Iodo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455796
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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
The IUPAC name of 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one (CID 114553730) is 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
The canonical SMILES for 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one is CC(C)(C)OCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
The InChIKey is VKBGVSBNIZDBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-10(2,3)15-5-4-13-9(14)6-8(11)7-12-13/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one?
5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one has a molecular weight of 322.15 g/mol, XLogP of 1.66, 3 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-methylpropan-2-yl)oxy]ethyl]pyridazin-3-one is sourced from PubChem (CID 114553730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).