4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine

C16H14FN5O — CID 72874849

IUPAC4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine
SMILESFc1cccc(-n2nc(C3CCOC3)nc2-c2ccnnc2)c1
InChIInChI=1S/C16H14FN5O/c17-13-2-1-3-14(8-13)22-16(11-4-6-18-19-9-11)20-15(21-22)12-5-7-23-10-12/h1-4,6,8-9,12H,5,7,10H2
InChIKeySWHWGVRHZFRSOL-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.37
Rot. Bonds3

About 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine

4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine (PubChem CID 72874849) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine
PubChem CID72874849
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine
SMILESFc1cccc(-n2nc(C3CCOC3)nc2-c2ccnnc2)c1
InChIInChI=1S/C16H14FN5O/c17-13-2-1-3-14(8-13)22-16(11-4-6-18-19-9-11)20-15(21-22)12-5-7-23-10-12/h1-4,6,8-9,12H,5,7,10H2
InChIKeySWHWGVRHZFRSOL-UHFFFAOYSA-N
XLogP2.37
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine?
The IUPAC name of 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine (CID 72874849) is 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine?
The canonical SMILES for 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine is Fc1cccc(-n2nc(C3CCOC3)nc2-c2ccnnc2)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine?
The InChIKey is SWHWGVRHZFRSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-13-2-1-3-14(8-13)22-16(11-4-6-18-19-9-11)20-15(21-22)12-5-7-23-10-12/h1-4,6,8-9,12H,5,7,10H2.
What are the key properties of 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine?
4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine has a molecular weight of 311.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]pyridazine is sourced from PubChem (CID 72874849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).