4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole

C13H15N5OS — CID 56891680

IUPAC4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole
SMILESCOCCn1cnnc1Cn1ccnc1-c1ccsc1
InChIInChI=1S/C13H15N5OS/c1-19-6-5-18-10-15-16-12(18)8-17-4-3-14-13(17)11-2-7-20-9-11/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyMMFMQJAIYJFHQH-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.90
Rot. Bonds6

About 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole

4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole (PubChem CID 56891680) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole
PubChem CID56891680
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole
SMILESCOCCn1cnnc1Cn1ccnc1-c1ccsc1
InChIInChI=1S/C13H15N5OS/c1-19-6-5-18-10-15-16-12(18)8-17-4-3-14-13(17)11-2-7-20-9-11/h2-4,7,9-10H,5-6,8H2,1H3
InChIKeyMMFMQJAIYJFHQH-UHFFFAOYSA-N
XLogP1.90
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-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

1-methyl-5-{1-[2-(3-thienyl)-1H-imidazol-1-yl]propyl}-1H-1,2,4-triazole
CID 56722618
Ethyl 1-(thiophen-3-ylmethyl)imidazole-2-carboximidate
CID 21272620
1-propyl-2-{[2-(3-thienyl)-1H-imidazol-1-yl]methyl}-1H-imidazole
CID 70775838
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(3-thienylmethyl)piperidine
CID 72907344
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(3-thienylmethyl)methanamine
CID 77088520
1-methyl-5-[(1S)-1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole
CID 95230146
1-methyl-5-[(1R)-1-(2-thiophen-3-ylimidazol-1-yl)propyl]-1,2,4-triazole
CID 95230147
6-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 134073694
1-methyl-4-{2-[2-(3-thienyl)-1H-imidazol-1-yl]ethyl}-1H-pyrazole
CID 154819420

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole (CID 56891680) is 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole is COCCn1cnnc1Cn1ccnc1-c1ccsc1.
What is the InChIKey of 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole?
The InChIKey is MMFMQJAIYJFHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-19-6-5-18-10-15-16-12(18)8-17-4-3-14-13(17)11-2-7-20-9-11/h2-4,7,9-10H,5-6,8H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole?
4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole has a molecular weight of 289.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-[(2-thiophen-3-ylimidazol-1-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 56891680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).