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

C20H18N6O3 — CID 45270760

IUPAC2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3OC)cn2)cn1
InChIInChI=1S/C20H18N6O3/c1-13-24-25-20(26(13)14-8-9-18(28-3)22-10-14)15-11-23-19(12-21-15)29-17-7-5-4-6-16(17)27-2/h4-12H,1-3H3
InChIKeyPAIKJKJGJLQTNY-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.24
Rot. Bonds6

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

2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 45270760) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID45270760
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3OC)cn2)cn1
InChIInChI=1S/C20H18N6O3/c1-13-24-25-20(26(13)14-8-9-18(28-3)22-10-14)15-11-23-19(12-21-15)29-17-7-5-4-6-16(17)27-2/h4-12H,1-3H3
InChIKeyPAIKJKJGJLQTNY-UHFFFAOYSA-N
XLogP3.24
TPSA97.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-Methyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
CID 72706867
5-Methoxy-4-phenoxy-2-(2-pyridinyl)pyrimidine
CID 3849120
2-{2-[4-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl}pyridine
CID 9944756
2-(2,3-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)pyrazine
CID 11384094
2-methoxy-5-(3-(methoxymethyl)-5-(4-(o-tolyloxy)piperidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 11502419
2-[4-(6-Methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-phenoxypyrazine
CID 16062053
2-(3,4-dimethylphenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)pyrazine
CID 44578010
2-methoxy-5-(3-methyl-5-(3-phenoxyazetidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 46225083
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-(4-fluoro-3-methylphenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)pyrazine
CID 44577939
2-(4-methoxy-3-methylphenyl)-5-(5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazol-3-yl)pyrazine
CID 44577984

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 45270760) is 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3OC)cn2)cn1.
What is the InChIKey of 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is PAIKJKJGJLQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-13-24-25-20(26(13)14-8-9-18(28-3)22-10-14)15-11-23-19(12-21-15)29-17-7-5-4-6-16(17)27-2/h4-12H,1-3H3.
What are the key properties of 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 390.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 45270760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).