2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine

C20H17FN6O2 — CID 45271580

IUPAC2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3cccc(F)c3C)cn2)cn1
InChIInChI=1S/C20H17FN6O2/c1-12-15(21)5-4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)14-7-8-18(28-3)23-9-14/h4-11H,1-3H3
InChIKeyCFZOGYJFQBTDKQ-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine

2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 45271580) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID45271580
Molecular FormulaC20H17FN6O2
Molecular Weight392.39 g/mol
Exact Mass392.14
IUPAC Name2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3cccc(F)c3C)cn2)cn1
InChIInChI=1S/C20H17FN6O2/c1-12-15(21)5-4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)14-7-8-18(28-3)23-9-14/h4-11H,1-3H3
InChIKeyCFZOGYJFQBTDKQ-UHFFFAOYSA-N
XLogP3.68
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 45271580) is 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(Oc3cccc(F)c3C)cn2)cn1.
What is the InChIKey of 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is CFZOGYJFQBTDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-12-15(21)5-4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)14-7-8-18(28-3)23-9-14/h4-11H,1-3H3.
What are the key properties of 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 392.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 45271580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).