3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole

C12H14ClN3O — CID 63384218

IUPAC3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole
SMILESCCOc1ccc(-n2c(Cl)nnc2CC)cc1
InChIInChI=1S/C12H14ClN3O/c1-3-11-14-15-12(13)16(11)9-5-7-10(8-6-9)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyOCCTXFOCALZJRF-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.88
Rot. Bonds4

About 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole

3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole (PubChem CID 63384218) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole
PubChem CID63384218
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole
SMILESCCOc1ccc(-n2c(Cl)nnc2CC)cc1
InChIInChI=1S/C12H14ClN3O/c1-3-11-14-15-12(13)16(11)9-5-7-10(8-6-9)17-4-2/h5-8H,3-4H2,1-2H3
InChIKeyOCCTXFOCALZJRF-UHFFFAOYSA-N
XLogP2.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-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-chloro-4-(4-chlorophenyl)-5-ethyl-1,2,4-triazole
CID 63384967
3-chloro-5-ethyl-4-(4-methoxy-3-methylphenyl)-1,2,4-triazole
CID 63385701
4-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]-5-methylsulfanyl-1,2,4-triazole
CID 47003729
1-[5-(chloromethyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83967947
3-chloro-5-propan-2-yl-4-(4-propoxyphenyl)-1,2,4-triazole
CID 63385389
4-(4-ethoxyphenyl)-3-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 17370733
4-(4-ethoxyphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
CID 3052508
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
2,6-bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731134
4-ethoxy-N-[[5-ethylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]aniline
CID 3167102
2-[[4-(4-chlorophenyl)-5-[(4-ethoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 16505240
3-[[4-(4-chlorophenyl)-5-[(4-ethoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,2,4-oxadiazole
CID 52734146

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole (CID 63384218) is 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole is CCOc1ccc(-n2c(Cl)nnc2CC)cc1.
What is the InChIKey of 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole?
The InChIKey is OCCTXFOCALZJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-11-14-15-12(13)16(11)9-5-7-10(8-6-9)17-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole?
3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole has a molecular weight of 251.72 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-ethoxyphenyl)-5-ethyl-1,2,4-triazole is sourced from PubChem (CID 63384218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).