3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole

C13H17N3O3 — CID 3975232

IUPAC3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCCOCCOc1n[nH]c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-3-18-8-9-19-13-14-12(15-16-13)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15,16)
InChIKeyICEHVARLOLKQRH-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.90
Rot. Bonds7

About 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole

3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 3975232) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID3975232
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole
SMILESCCOCCOc1n[nH]c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C13H17N3O3/c1-3-18-8-9-19-13-14-12(15-16-13)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15,16)
InChIKeyICEHVARLOLKQRH-UHFFFAOYSA-N
XLogP1.90
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-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

3-(2-methoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 3299470
2-[[5-(4-aminophenyl)-1H-1,2,4-triazol-3-yl]oxy]ethanol
CID 139692715
3-ethylsulfanyl-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7896768
2-[4-[5-(2-ethoxyethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethanamine
CID 142920114
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 7896445
4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853247
1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
CID 54847503
4-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17112720
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529706

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole (CID 3975232) is 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole is CCOCCOc1n[nH]c(-c2ccc(OC)cc2)n1.
What is the InChIKey of 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is ICEHVARLOLKQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-18-8-9-19-13-14-12(15-16-13)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 263.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 3975232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).