3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine

C14H11FIN5O — CID 167438741

IUPAC3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(I)cc2)c1COc1ccc(F)nn1
InChIInChI=1S/C14H11FIN5O/c1-9-12(8-22-14-7-6-13(15)18-19-14)21(20-17-9)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3
InChIKeyHREXARFSFUFPFQ-UHFFFAOYSA-N
MW411.18 g/mol
LogP2.69
Rot. Bonds4

About 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine

3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 167438741) has the molecular formula C14H11FIN5O and a molecular weight of 411.18 g/mol. Its IUPAC name is 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID167438741
Molecular FormulaC14H11FIN5O
Molecular Weight411.18 g/mol
Exact Mass411.00
IUPAC Name3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine
SMILESCc1nnn(-c2ccc(I)cc2)c1COc1ccc(F)nn1
InChIInChI=1S/C14H11FIN5O/c1-9-12(8-22-14-7-6-13(15)18-19-14)21(20-17-9)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3
InChIKeyHREXARFSFUFPFQ-UHFFFAOYSA-N
XLogP2.69
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 52.69
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 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine (CID 167438741) is 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine is Cc1nnn(-c2ccc(I)cc2)c1COc1ccc(F)nn1.
What is the InChIKey of 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is HREXARFSFUFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FIN5O/c1-9-12(8-22-14-7-6-13(15)18-19-14)21(20-17-9)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3.
What are the key properties of 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine?
3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 411.18 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[[3-(4-iodophenyl)-5-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 167438741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).