3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine

C14H12FN5O — CID 141330167

IUPAC3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(F)cc2)c1COc1cccnn1
InChIInChI=1S/C14H12FN5O/c1-20-12(9-21-13-3-2-8-16-17-13)14(18-19-20)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyQSQNSOJNIYRQNC-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.99
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine

3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine (PubChem CID 141330167) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine
PubChem CID141330167
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine
SMILESCn1nnc(-c2ccc(F)cc2)c1COc1cccnn1
InChIInChI=1S/C14H12FN5O/c1-20-12(9-21-13-3-2-8-16-17-13)14(18-19-20)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3
InChIKeyQSQNSOJNIYRQNC-UHFFFAOYSA-N
XLogP1.99
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The IUPAC name of 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine (CID 141330167) is 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine is Cn1nnc(-c2ccc(F)cc2)c1COc1cccnn1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
The InChIKey is QSQNSOJNIYRQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-20-12(9-21-13-3-2-8-16-17-13)14(18-19-20)10-4-6-11(15)7-5-10/h2-8H,9H2,1H3.
What are the key properties of 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine?
3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine has a molecular weight of 285.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazine is sourced from PubChem (CID 141330167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).