2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine

C20H18N4OS — CID 162657135

IUPAC2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine
SMILESCOc1cc(-c2cccs2)cc(-c2nnn(Cc3ccccc3)c2C)n1
InChIInChI=1S/C20H18N4OS/c1-14-20(22-23-24(14)13-15-7-4-3-5-8-15)17-11-16(12-19(21-17)25-2)18-9-6-10-26-18/h3-12H,13H2,1-2H3
InChIKeySEEZZSOGBFIUCK-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.43
Rot. Bonds5

About 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine

2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine (PubChem CID 162657135) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine
PubChem CID162657135
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine
SMILESCOc1cc(-c2cccs2)cc(-c2nnn(Cc3ccccc3)c2C)n1
InChIInChI=1S/C20H18N4OS/c1-14-20(22-23-24(14)13-15-7-4-3-5-8-15)17-11-16(12-19(21-17)25-2)18-9-6-10-26-18/h3-12H,13H2,1-2H3
InChIKeySEEZZSOGBFIUCK-UHFFFAOYSA-N
XLogP4.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine?
The IUPAC name of 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine (CID 162657135) is 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine.
What is the SMILES notation for 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine?
The canonical SMILES for 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine is COc1cc(-c2cccs2)cc(-c2nnn(Cc3ccccc3)c2C)n1.
What is the InChIKey of 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine?
The InChIKey is SEEZZSOGBFIUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-14-20(22-23-24(14)13-15-7-4-3-5-8-15)17-11-16(12-19(21-17)25-2)18-9-6-10-26-18/h3-12H,13H2,1-2H3.
What are the key properties of 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine?
2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine has a molecular weight of 362.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methyltriazol-4-yl)-6-methoxy-4-thiophen-2-ylpyridine is sourced from PubChem (CID 162657135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).