1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole

C20H23N3O6 — CID 59429985

IUPAC1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(OC)c(OC)c(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H23N3O6/c1-24-13-9-14(19(28-5)18(10-13)27-4)23-15(11-21-22-23)12-7-16(25-2)20(29-6)17(8-12)26-3/h7-11H,1-6H3
InChIKeyMZPZFLKUKPSXPO-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.99
Rot. Bonds8

About 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole

1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole (PubChem CID 59429985) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole.

Molecular Properties

Compound Name1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
PubChem CID59429985
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Name1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(OC)c(OC)c(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H23N3O6/c1-24-13-9-14(19(28-5)18(10-13)27-4)23-15(11-21-22-23)12-7-16(25-2)20(29-6)17(8-12)26-3/h7-11H,1-6H3
InChIKeyMZPZFLKUKPSXPO-UHFFFAOYSA-N
XLogP2.99
TPSA86.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(4-ethoxyphenyl)-1-(2,3,5-trimethoxyphenyl)triazole
CID 59430393
5-[3-(5-hydroxy-2,3-dimethoxyphenyl)triazol-4-yl]-2,3-dimethoxyphenol
CID 71218503
1-(4-phenoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
CID 25067758
4-[5-(3,4,5-trimethoxyphenyl)triazol-1-yl]-1,2,5-oxadiazol-3-amine
CID 91972749
5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
CID 88580137
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] sulfate
CID 59430037
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] hydrogen sulfate
CID 59430038
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 59430247
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007607
[5-methoxy-2-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] phosphate
CID 59430049
2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 70864213
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
CID 59430003

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole?
The IUPAC name of 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole (CID 59429985) is 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole.
What is the SMILES notation for 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole?
The canonical SMILES for 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole is COc1cc(OC)c(OC)c(-n2nncc2-c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole?
The InChIKey is MZPZFLKUKPSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-24-13-9-14(19(28-5)18(10-13)27-4)23-15(11-21-22-23)12-7-16(25-2)20(29-6)17(8-12)26-3/h7-11H,1-6H3.
What are the key properties of 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole?
1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole has a molecular weight of 401.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole is sourced from PubChem (CID 59429985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).