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

C20H18N6O2 — CID 45271574

IUPAC2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3C)cn2)cn1
InChIInChI=1S/C20H18N6O2/c1-13-6-4-5-7-17(13)28-19-12-21-16(11-23-19)20-25-24-14(2)26(20)15-8-9-18(27-3)22-10-15/h4-12H,1-3H3
InChIKeyRVNRMEIFRQYQDT-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.54
Rot. Bonds5

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

2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine (PubChem CID 45271574) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine.

Molecular Properties

Compound Name2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine
PubChem CID45271574
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3C)cn2)cn1
InChIInChI=1S/C20H18N6O2/c1-13-6-4-5-7-17(13)28-19-12-21-16(11-23-19)20-25-24-14(2)26(20)15-8-9-18(27-3)22-10-15/h4-12H,1-3H3
InChIKeyRVNRMEIFRQYQDT-UHFFFAOYSA-N
XLogP3.54
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine?
The IUPAC name of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine (CID 45271574) is 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine.
What is the SMILES notation for 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine?
The canonical SMILES for 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(Oc3ccccc3C)cn2)cn1.
What is the InChIKey of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine?
The InChIKey is RVNRMEIFRQYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-13-6-4-5-7-17(13)28-19-12-21-16(11-23-19)20-25-24-14(2)26(20)15-8-9-18(27-3)22-10-15/h4-12H,1-3H3.
What are the key properties of 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine?
2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine has a molecular weight of 374.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-5-(2-methylphenoxy)pyrazine is sourced from PubChem (CID 45271574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).