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

C19H14Cl2N6O2 — CID 45272491

IUPAC2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(Cl)cc3Cl)cn2)cn1
InChIInChI=1S/C19H14Cl2N6O2/c1-11-25-26-19(27(11)13-4-6-17(28-2)23-8-13)15-9-24-18(10-22-15)29-16-5-3-12(20)7-14(16)21/h3-10H,1-2H3
InChIKeyZXTYVJMQUUGAGW-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.54
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 45272491) has the molecular formula C19H14Cl2N6O2 and a molecular weight of 429.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID45272491
Molecular FormulaC19H14Cl2N6O2
Molecular Weight429.27 g/mol
Exact Mass428.06
IUPAC Name2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(Cl)cc3Cl)cn2)cn1
InChIInChI=1S/C19H14Cl2N6O2/c1-11-25-26-19(27(11)13-4-6-17(28-2)23-8-13)15-9-24-18(10-22-15)29-16-5-3-12(20)7-14(16)21/h3-10H,1-2H3
InChIKeyZXTYVJMQUUGAGW-UHFFFAOYSA-N
XLogP4.54
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,4-dichlorophenoxy)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 45272491) is 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccc(Cl)cc3Cl)cn2)cn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is ZXTYVJMQUUGAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O2/c1-11-25-26-19(27(11)13-4-6-17(28-2)23-8-13)15-9-24-18(10-22-15)29-16-5-3-12(20)7-14(16)21/h3-10H,1-2H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 429.27 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 45272491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).