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

C21H20N6O2 — CID 45269934

IUPAC2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCCc1ccccc1Oc1cnc(-c2nnc(C)n2-c2ccc(OC)nc2)cn1
InChIInChI=1S/C21H20N6O2/c1-4-15-7-5-6-8-18(15)29-20-13-22-17(12-24-20)21-26-25-14(2)27(21)16-9-10-19(28-3)23-11-16/h5-13H,4H2,1-3H3
InChIKeyBRALWNLHOJVISW-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.79
Rot. Bonds6

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

2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 45269934) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID45269934
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCCc1ccccc1Oc1cnc(-c2nnc(C)n2-c2ccc(OC)nc2)cn1
InChIInChI=1S/C21H20N6O2/c1-4-15-7-5-6-8-18(15)29-20-13-22-17(12-24-20)21-26-25-14(2)27(21)16-9-10-19(28-3)23-11-16/h5-13H,4H2,1-3H3
InChIKeyBRALWNLHOJVISW-UHFFFAOYSA-N
XLogP3.79
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 45269934) is 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is CCc1ccccc1Oc1cnc(-c2nnc(C)n2-c2ccc(OC)nc2)cn1.
What is the InChIKey of 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is BRALWNLHOJVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-4-15-7-5-6-8-18(15)29-20-13-22-17(12-24-20)21-26-25-14(2)27(21)16-9-10-19(28-3)23-11-16/h5-13H,4H2,1-3H3.
What are the key properties of 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 388.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 45269934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).