5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one

C9H13IN2O2 — CID 114553434

IUPAC5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCC(C)OCCn1ncc(I)cc1=O
InChIInChI=1S/C9H13IN2O2/c1-7(2)14-4-3-12-9(13)5-8(10)6-11-12/h5-7H,3-4H2,1-2H3
InChIKeyBUFBRCHSAQUUAO-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.27
Rot. Bonds4

About 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one

5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one (PubChem CID 114553434) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
PubChem CID114553434
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCC(C)OCCn1ncc(I)cc1=O
InChIInChI=1S/C9H13IN2O2/c1-7(2)14-4-3-12-9(13)5-8(10)6-11-12/h5-7H,3-4H2,1-2H3
InChIKeyBUFBRCHSAQUUAO-UHFFFAOYSA-N
XLogP1.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.27
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-[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-(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-propan-2-yloxyethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one (CID 114553434) is 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one is CC(C)OCCn1ncc(I)cc1=O.
What is the InChIKey of 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The InChIKey is BUFBRCHSAQUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c1-7(2)14-4-3-12-9(13)5-8(10)6-11-12/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one has a molecular weight of 308.12 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-propan-2-yloxyethyl)pyridazin-3-one is sourced from PubChem (CID 114553434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).