1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole

C28H28N6O2 — CID 118529659

IUPAC1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole
SMILESCOCCn1nc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccccc3)nn2CCOC)c1
InChIInChI=1S/C28H28N6O2/c1-35-18-16-33-27(29-25(31-33)21-10-5-3-6-11-21)23-14-9-15-24(20-23)28-30-26(22-12-7-4-8-13-22)32-34(28)17-19-36-2/h3-15,20H,16-19H2,1-2H3
InChIKeyQPDLEKUKJHODFZ-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.83
Rot. Bonds10

About 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole

1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole (PubChem CID 118529659) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole
PubChem CID118529659
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole
SMILESCOCCn1nc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccccc3)nn2CCOC)c1
InChIInChI=1S/C28H28N6O2/c1-35-18-16-33-27(29-25(31-33)21-10-5-3-6-11-21)23-14-9-15-24(20-23)28-30-26(22-12-7-4-8-13-22)32-34(28)17-19-36-2/h3-15,20H,16-19H2,1-2H3
InChIKeyQPDLEKUKJHODFZ-UHFFFAOYSA-N
XLogP4.83
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole?
The IUPAC name of 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole (CID 118529659) is 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole?
The canonical SMILES for 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole is COCCn1nc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccccc3)nn2CCOC)c1.
What is the InChIKey of 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole?
The InChIKey is QPDLEKUKJHODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-35-18-16-33-27(29-25(31-33)21-10-5-3-6-11-21)23-14-9-15-24(20-23)28-30-26(22-12-7-4-8-13-22)32-34(28)17-19-36-2/h3-15,20H,16-19H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole?
1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole has a molecular weight of 480.57 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[3-[2-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 118529659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).