3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine

C21H18N4O2 — CID 156834081

IUPAC3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
SMILESCOc1ccc(OC)c(-c2ccc(-n3cc(-c4cccnc4)nn3)cc2)c1
InChIInChI=1S/C21H18N4O2/c1-26-18-9-10-21(27-2)19(12-18)15-5-7-17(8-6-15)25-14-20(23-24-25)16-4-3-11-22-13-16/h3-14H,1-2H3
InChIKeyJUOOKMXPMCKVAM-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.01
Rot. Bonds5

About 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine

3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine (PubChem CID 156834081) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
PubChem CID156834081
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine
SMILESCOc1ccc(OC)c(-c2ccc(-n3cc(-c4cccnc4)nn3)cc2)c1
InChIInChI=1S/C21H18N4O2/c1-26-18-9-10-21(27-2)19(12-18)15-5-7-17(8-6-15)25-14-20(23-24-25)16-4-3-11-22-13-16/h3-14H,1-2H3
InChIKeyJUOOKMXPMCKVAM-UHFFFAOYSA-N
XLogP4.01
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-(4-pyridin-3-yltriazol-1-yl)aniline
CID 82369844
4-(4-pyridin-3-yltriazol-1-yl)phenol
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N-[5-[4-(4-methoxyphenyl)triazol-1-yl]-2-methylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 102443864
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
1-(3-methoxy-4-phenylphenyl)-4-phenyltriazole
CID 175322203
2-methoxy-5-(1-pyridin-3-yltriazol-4-yl)pyridine
CID 46183505
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
4-(3,4-dimethoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]triazole
CID 11667722
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
3-[1-[4-[3-(2-phenylphenoxy)propyl]phenyl]triazol-4-yl]pyridine
CID 86305328
3-[1-[4-(5-methylhexyl)phenyl]triazol-4-yl]pyridine
CID 139312462
3-[1-[4-(3,4-dimethoxyphenyl)phenyl]triazol-4-yl]benzoic acid
CID 156834068

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine?
The IUPAC name of 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine (CID 156834081) is 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine?
The canonical SMILES for 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine is COc1ccc(OC)c(-c2ccc(-n3cc(-c4cccnc4)nn3)cc2)c1.
What is the InChIKey of 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine?
The InChIKey is JUOOKMXPMCKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-26-18-9-10-21(27-2)19(12-18)15-5-7-17(8-6-15)25-14-20(23-24-25)16-4-3-11-22-13-16/h3-14H,1-2H3.
What are the key properties of 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine?
3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine has a molecular weight of 358.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2,5-dimethoxyphenyl)phenyl]triazol-4-yl]pyridine is sourced from PubChem (CID 156834081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).