1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine

C12H20N6 — CID 114266029

IUPAC1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCCc1nc(C(C)NC)cn1Cc1cn(C)nn1
InChIInChI=1S/C12H20N6/c1-5-12-14-11(9(2)13-3)8-18(12)7-10-6-17(4)16-15-10/h6,8-9,13H,5,7H2,1-4H3
InChIKeyWWBJAEYMQPFDQQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine

1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine (PubChem CID 114266029) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine
PubChem CID114266029
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine
SMILESCCc1nc(C(C)NC)cn1Cc1cn(C)nn1
InChIInChI=1S/C12H20N6/c1-5-12-14-11(9(2)13-3)8-18(12)7-10-6-17(4)16-15-10/h6,8-9,13H,5,7H2,1-4H3
InChIKeyWWBJAEYMQPFDQQ-UHFFFAOYSA-N
XLogP0.90
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine 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-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methanamine
CID 107045469
ethane;4-ethyl-1-methyltriazole
CID 143593274
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
1-[3,5-diethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 107053743
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050222
N-methyl-1-[1-[(1-methyltriazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040766
1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
CID 107054359
3-(methylamino)-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061961
1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 107053748
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
4-[(4,5-diiodoimidazol-1-yl)methyl]-1-methyltriazole
CID 130508270

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine (CID 114266029) is 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine is CCc1nc(C(C)NC)cn1Cc1cn(C)nn1.
What is the InChIKey of 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine?
The InChIKey is WWBJAEYMQPFDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-12-14-11(9(2)13-3)8-18(12)7-10-6-17(4)16-15-10/h6,8-9,13H,5,7H2,1-4H3.
What are the key properties of 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine?
1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine has a molecular weight of 248.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-1-[(1-methyltriazol-4-yl)methyl]imidazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 114266029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).