4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one

C18H18FN7O2 — CID 167438901

IUPAC4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one
SMILESCn1nnc(-c2ccc(F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1
InChIInChI=1S/C18H18FN7O2/c1-25-14(18(23-24-25)12-2-4-13(19)5-3-12)11-28-17-7-6-15(21-22-17)26-9-8-20-16(27)10-26/h2-7H,8-11H2,1H3,(H,20,27)
InChIKeyJBLVOXAWLJMEPA-UHFFFAOYSA-N
MW383.39 g/mol
LogP0.93
Rot. Bonds5

About 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one

4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one (PubChem CID 167438901) has the molecular formula C18H18FN7O2 and a molecular weight of 383.39 g/mol. Its IUPAC name is 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one
PubChem CID167438901
Molecular FormulaC18H18FN7O2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC Name4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one
SMILESCn1nnc(-c2ccc(F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1
InChIInChI=1S/C18H18FN7O2/c1-25-14(18(23-24-25)12-2-4-13(19)5-3-12)11-28-17-7-6-15(21-22-17)26-9-8-20-16(27)10-26/h2-7H,8-11H2,1H3,(H,20,27)
InChIKeyJBLVOXAWLJMEPA-UHFFFAOYSA-N
XLogP0.93
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
The IUPAC name of 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one (CID 167438901) is 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
The canonical SMILES for 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one is Cn1nnc(-c2ccc(F)cc2)c1COc1ccc(N2CCNC(=O)C2)nn1.
What is the InChIKey of 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
The InChIKey is JBLVOXAWLJMEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O2/c1-25-14(18(23-24-25)12-2-4-13(19)5-3-12)11-28-17-7-6-15(21-22-17)26-9-8-20-16(27)10-26/h2-7H,8-11H2,1H3,(H,20,27).
What are the key properties of 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one?
4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one has a molecular weight of 383.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[5-(4-fluorophenyl)-3-methyltriazol-4-yl]methoxy]pyridazin-3-yl]piperazin-2-one is sourced from PubChem (CID 167438901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).