2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine

C22H20N4O — CID 155520839

IUPAC2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccc(C)cc4)nn3)cc2)cn1
InChIInChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)21-15-26(25-24-21)14-17-5-9-18(10-6-17)20-11-12-22(27-2)23-13-20/h3-13,15H,14H2,1-2H3
InChIKeyNUWGRQLPQIXMCW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds5

About 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine

2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine (PubChem CID 155520839) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
PubChem CID155520839
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccc(C)cc4)nn3)cc2)cn1
InChIInChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)21-15-26(25-24-21)14-17-5-9-18(10-6-17)20-11-12-22(27-2)23-13-20/h3-13,15H,14H2,1-2H3
InChIKeyNUWGRQLPQIXMCW-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
The IUPAC name of 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine (CID 155520839) is 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine is COc1ccc(-c2ccc(Cn3cc(-c4ccc(C)cc4)nn3)cc2)cn1.
What is the InChIKey of 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
The InChIKey is NUWGRQLPQIXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)21-15-26(25-24-21)14-17-5-9-18(10-6-17)20-11-12-22(27-2)23-13-20/h3-13,15H,14H2,1-2H3.
What are the key properties of 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine?
2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine has a molecular weight of 356.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine is sourced from PubChem (CID 155520839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).