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

C20H17ClN6O2 — CID 59474966

IUPAC2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3cc(Cl)ccc3C)cn2)cn1
InChIInChI=1S/C20H17ClN6O2/c1-12-4-5-14(21)8-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)15-6-7-18(28-3)23-9-15/h4-11H,1-3H3
InChIKeyYZKUZGJJJHORTR-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.19
Rot. Bonds5

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

2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 59474966) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID59474966
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC Name2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3cc(Cl)ccc3C)cn2)cn1
InChIInChI=1S/C20H17ClN6O2/c1-12-4-5-14(21)8-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)15-6-7-18(28-3)23-9-15/h4-11H,1-3H3
InChIKeyYZKUZGJJJHORTR-UHFFFAOYSA-N
XLogP4.19
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-isocyano-2-methylphenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 58997481
2-(2-chloro-3-fluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
CID 11848692
2-(3,5-difluorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine;2-(2,3-dimethylphenyl)-5-[5-(2-methoxyethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyridine
CID 69248985
5-chloro-6-(5-chloro-2-methylphenoxy)pyridin-3-amine
CID 114046402
5-[3-(3-chloro-4-ethoxyphenyl)-5-(ethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11383683
4-chloro-2-methoxy-1-methylbenzene;ethane
CID 143462337
5-(4-chloro-2-methylphenoxy)pyrazin-2-amine
CID 80663336
5-chloro-2-(2-methoxyphenoxy)pyridine
CID 66233202
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]-4,5,6-trimethylpyrimidine
CID 163316830
3-ethoxy-6-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-2-(trifluoromethyl)pyridine
CID 11292749
2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181646

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 59474966) is 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(Oc3cc(Cl)ccc3C)cn2)cn1.
What is the InChIKey of 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is YZKUZGJJJHORTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-12-4-5-14(21)8-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)15-6-7-18(28-3)23-9-15/h4-11H,1-3H3.
What are the key properties of 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 408.85 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 59474966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).