4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole

C6H10FN3O — CID 87414714

IUPAC4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
SMILESCn1cc(COCC[18F])nn1
InChIInChI=1S/C6H10FN3O/c1-10-4-6(8-9-10)5-11-3-2-7/h4H,2-3,5H2,1H3/i7-1
InChIKeyUVFQISYKBYPFCL-JZRMKITLSA-N
MW158.17 g/mol
LogP0.30
Rot. Bonds4

About 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole

4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole (PubChem CID 87414714) has the molecular formula C6H10FN3O and a molecular weight of 158.17 g/mol. Its IUPAC name is 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole.

Molecular Properties

Compound Name4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
PubChem CID87414714
Molecular FormulaC6H10FN3O
Molecular Weight158.17 g/mol
Exact Mass158.08
IUPAC Name4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
SMILESCn1cc(COCC[18F])nn1
InChIInChI=1S/C6H10FN3O/c1-10-4-6(8-9-10)5-11-3-2-7/h4H,2-3,5H2,1H3/i7-1
InChIKeyUVFQISYKBYPFCL-JZRMKITLSA-N
XLogP0.30
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole?
The IUPAC name of 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole (CID 87414714) is 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole.
What is the SMILES notation for 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole?
The canonical SMILES for 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole is Cn1cc(COCC[18F])nn1.
What is the InChIKey of 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole?
The InChIKey is UVFQISYKBYPFCL-JZRMKITLSA-N. The full InChI is InChI=1S/C6H10FN3O/c1-10-4-6(8-9-10)5-11-3-2-7/h4H,2-3,5H2,1H3/i7-1.
What are the key properties of 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole?
4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole has a molecular weight of 158.17 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole is sourced from PubChem (CID 87414714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).