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

C19H15ClN6O2 — CID 45272485

IUPAC2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3Cl)cn2)cn1
InChIInChI=1S/C19H15ClN6O2/c1-12-24-25-19(26(12)13-7-8-17(27-2)22-9-13)15-10-23-18(11-21-15)28-16-6-4-3-5-14(16)20/h3-11H,1-2H3
InChIKeyKZEQZJOQEVWNGD-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.88
Rot. Bonds5

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

2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 45272485) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID45272485
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3Cl)cn2)cn1
InChIInChI=1S/C19H15ClN6O2/c1-12-24-25-19(26(12)13-7-8-17(27-2)22-9-13)15-10-23-18(11-21-15)28-16-6-4-3-5-14(16)20/h3-11H,1-2H3
InChIKeyKZEQZJOQEVWNGD-UHFFFAOYSA-N
XLogP3.88
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 45272485) is 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3Cl)cn2)cn1.
What is the InChIKey of 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is KZEQZJOQEVWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c1-12-24-25-19(26(12)13-7-8-17(27-2)22-9-13)15-10-23-18(11-21-15)28-16-6-4-3-5-14(16)20/h3-11H,1-2H3.
What are the key properties of 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 394.82 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 45272485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).