1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole

C12H12N6O — CID 71253286

IUPAC1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole
SMILESCCOc1ccc(-n2cnc(-n3cnnc3)n2)cc1
InChIInChI=1S/C12H12N6O/c1-2-19-11-5-3-10(4-6-11)18-7-13-12(16-18)17-8-14-15-9-17/h3-9H,2H2,1H3
InChIKeyZBUXPFGTOASYJZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.25
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole

1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole (PubChem CID 71253286) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole
PubChem CID71253286
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole
SMILESCCOc1ccc(-n2cnc(-n3cnnc3)n2)cc1
InChIInChI=1S/C12H12N6O/c1-2-19-11-5-3-10(4-6-11)18-7-13-12(16-18)17-8-14-15-9-17/h3-9H,2H2,1H3
InChIKeyZBUXPFGTOASYJZ-UHFFFAOYSA-N
XLogP1.25
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methoxyphenyl)-4H-1,2,4-triazole
CID 659620
1-(4-Methoxy-phenyl)-1H-tetrazole
CID 270008
N,N-dimethyl-1-(4-phenoxyphenyl)-1H-1,2,3,4-tetraazol-5-amine
CID 1482504
1-(4-Butoxy-phenyl)-1H-[1,2,4]triazole
CID 11458616
1-(4-phenoxyphenyl)-1H-tetraazole
CID 781454
1-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 11084390
2-Ethoxy-5-(4H-1,2,4-triazol-4-yl)aniline
CID 28643059
methyl [4-(1H-tetrazol-1-yl)phenoxy]acetate
CID 1511129
7-(4-Methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
CID 44567473
US9605007, Example 80
CID 68969666
3-ethyl-4-(4-octyloxyphenyl)-4H-1,2,4-triazole
CID 23643967
1-[4-[2-(4-Fluorophenoxy)ethoxy]phenyl]tetrazole
CID 40191444

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole (CID 71253286) is 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole is CCOc1ccc(-n2cnc(-n3cnnc3)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole?
The InChIKey is ZBUXPFGTOASYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-2-19-11-5-3-10(4-6-11)18-7-13-12(16-18)17-8-14-15-9-17/h3-9H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole?
1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole has a molecular weight of 256.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 71253286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).