5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one

C12H15IN4O2 — CID 66865730

IUPAC5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(-n2c(C)nc(I)c2C)cc1=O
InChIInChI=1S/C12H15IN4O2/c1-8-12(13)15-9(2)17(8)10-6-11(18)16(14-7-10)4-5-19-3/h6-7H,4-5H2,1-3H3
InChIKeyKMTSLZFWZQILOG-UHFFFAOYSA-N
MW374.18 g/mol
LogP1.30
Rot. Bonds4

About 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one

5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 66865730) has the molecular formula C12H15IN4O2 and a molecular weight of 374.18 g/mol. Its IUPAC name is 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID66865730
Molecular FormulaC12H15IN4O2
Molecular Weight374.18 g/mol
Exact Mass374.02
IUPAC Name5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(-n2c(C)nc(I)c2C)cc1=O
InChIInChI=1S/C12H15IN4O2/c1-8-12(13)15-9(2)17(8)10-6-11(18)16(14-7-10)4-5-19-3/h6-7H,4-5H2,1-3H3
InChIKeyKMTSLZFWZQILOG-UHFFFAOYSA-N
XLogP1.30
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one (CID 66865730) is 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(-n2c(C)nc(I)c2C)cc1=O.
What is the InChIKey of 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is KMTSLZFWZQILOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN4O2/c1-8-12(13)15-9(2)17(8)10-6-11(18)16(14-7-10)4-5-19-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one?
5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 374.18 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodo-2,5-dimethylimidazol-1-yl)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 66865730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).