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

C21H18N4O — CID 155534355

IUPAC2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1
InChIInChI=1S/C21H18N4O/c1-26-21-12-11-19(13-22-21)17-9-7-16(8-10-17)14-25-15-20(23-24-25)18-5-3-2-4-6-18/h2-13,15H,14H2,1H3
InChIKeyDHCIMAVXPHVRLC-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.06
Rot. Bonds5

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

2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine (PubChem CID 155534355) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine
PubChem CID155534355
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1
InChIInChI=1S/C21H18N4O/c1-26-21-12-11-19(13-22-21)17-9-7-16(8-10-17)14-25-15-20(23-24-25)18-5-3-2-4-6-18/h2-13,15H,14H2,1H3
InChIKeyDHCIMAVXPHVRLC-UHFFFAOYSA-N
XLogP4.06
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.06
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-phenyltriazol-1-yl)methyl]phenyl]pyridine?
The IUPAC name of 2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine (CID 155534355) is 2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine?
The canonical SMILES for 2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine is COc1ccc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1.
What is the InChIKey of 2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine?
The InChIKey is DHCIMAVXPHVRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-21-12-11-19(13-22-21)17-9-7-16(8-10-17)14-25-15-20(23-24-25)18-5-3-2-4-6-18/h2-13,15H,14H2,1H3.
What are the key properties of 2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine?
2-methoxy-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyridine has a molecular weight of 342.40 g/mol, XLogP of 4.06, 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-phenyltriazol-1-yl)methyl]phenyl]pyridine is sourced from PubChem (CID 155534355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).