4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole

C8H11N5 — CID 69250857

IUPAC4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cn(C)cn1
InChIInChI=1S/C8H11N5/c1-3-13-6-10-11-8(13)7-4-12(2)5-9-7/h4-6H,3H2,1-2H3
InChIKeyMSKAZQFPEXVUKT-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.70
Rot. Bonds2

About 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole

4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole (PubChem CID 69250857) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole
PubChem CID69250857
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole
SMILESCCn1cnnc1-c1cn(C)cn1
InChIInChI=1S/C8H11N5/c1-3-13-6-10-11-8(13)7-4-12(2)5-9-7/h4-6H,3H2,1-2H3
InChIKeyMSKAZQFPEXVUKT-UHFFFAOYSA-N
XLogP0.70
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-3-(1-methylimidazol-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

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928249
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928525
N-methyl-N-{2-[4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazol-1-yl]ethyl}methanesulfonamide
CID 72932662
4-Ethyl-1-methyl-5-pyrazin-2-yl-1,2,4-triazol-4-ium-3-thiolate
CID 12869139
N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 74243593
N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 91835881
1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine
CID 97130706
N-methyl-1-(1-methyltriazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]methanamine
CID 126796372
(1S)-N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 164632025
3-(3-pentylimidazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 91393180
ethene;5-(2-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 144159765
1-(2,2-difluoropropyl)-5-(2-ethenyl-1H-imidazol-5-yl)-3-methyl-1,2,4-triazole
CID 144159835

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole (CID 69250857) is 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole is CCn1cnnc1-c1cn(C)cn1.
What is the InChIKey of 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole?
The InChIKey is MSKAZQFPEXVUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-13-6-10-11-8(13)7-4-12(2)5-9-7/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole?
4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole has a molecular weight of 177.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1-methylimidazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 69250857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).