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

C20H18N6O2S — CID 45268188

IUPAC2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3SC)cn2)cn1
InChIInChI=1S/C20H18N6O2S/c1-13-24-25-20(26(13)14-8-9-18(27-2)22-10-14)15-11-23-19(12-21-15)28-16-6-4-5-7-17(16)29-3/h4-12H,1-3H3
InChIKeyFENMUNUGOFAACO-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.95
Rot. Bonds6

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

2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine (PubChem CID 45268188) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine.

Molecular Properties

Compound Name2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine
PubChem CID45268188
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC Name2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3SC)cn2)cn1
InChIInChI=1S/C20H18N6O2S/c1-13-24-25-20(26(13)14-8-9-18(27-2)22-10-14)15-11-23-19(12-21-15)28-16-6-4-5-7-17(16)29-3/h4-12H,1-3H3
InChIKeyFENMUNUGOFAACO-UHFFFAOYSA-N
XLogP3.95
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine with MolForge

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Related Compounds

5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
CID 1327659
2-[4-(6-Methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-phenoxypyrazine
CID 16062053
US9096589, 8-Methoxy-5-methyl-2-{2-[1-(2-morpholin-4-yl-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53234600
2-(2,6-Dimethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 44186995
2-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)-5-phenylpyrazine
CID 44577938
2-(2-Chloro-3,6-difluorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45268191
2-(2-Ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45269934
2-(2-Methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45270760
2-[4-(6-Methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine
CID 45271574
2-(3-Fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45271580
2-(2-Chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45272485
2-(4-Fluoro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 45273367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine?
The IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine (CID 45268188) is 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine.
What is the SMILES notation for 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine?
The canonical SMILES for 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3SC)cn2)cn1.
What is the InChIKey of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine?
The InChIKey is FENMUNUGOFAACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c1-13-24-25-20(26(13)14-8-9-18(27-2)22-10-14)15-11-23-19(12-21-15)28-16-6-4-5-7-17(16)29-3/h4-12H,1-3H3.
What are the key properties of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine?
2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine has a molecular weight of 406.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylsulfanylphenoxy)pyrazine is sourced from PubChem (CID 45268188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).