2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine

C22H20N4O3 — CID 59430270

IUPAC2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
SMILESCOc1cc(-c2n[nH]nc2-c2ccc(-c3ccccn3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O3/c1-27-18-12-16(13-19(28-2)22(18)29-3)21-20(24-26-25-21)15-9-7-14(8-10-15)17-6-4-5-11-23-17/h4-13H,1-3H3,(H,24,25,26)
InChIKeyAVEBIAQCTGEGPK-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine

2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine (PubChem CID 59430270) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
PubChem CID59430270
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
SMILESCOc1cc(-c2n[nH]nc2-c2ccc(-c3ccccn3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O3/c1-27-18-12-16(13-19(28-2)22(18)29-3)21-20(24-26-25-21)15-9-7-14(8-10-15)17-6-4-5-11-23-17/h4-13H,1-3H3,(H,24,25,26)
InChIKeyAVEBIAQCTGEGPK-UHFFFAOYSA-N
XLogP4.23
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine?
The IUPAC name of 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine (CID 59430270) is 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine?
The canonical SMILES for 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine is COc1cc(-c2n[nH]nc2-c2ccc(-c3ccccn3)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine?
The InChIKey is AVEBIAQCTGEGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-27-18-12-16(13-19(28-2)22(18)29-3)21-20(24-26-25-21)15-9-7-14(8-10-15)17-6-4-5-11-23-17/h4-13H,1-3H3,(H,24,25,26).
What are the key properties of 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine?
2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine has a molecular weight of 388.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine is sourced from PubChem (CID 59430270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).