1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C15H24N4O — CID 105000098

IUPAC1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCc1ccc(C(Cc2ncnn2CC(C)C)NC)o1
InChIInChI=1S/C15H24N4O/c1-5-12-6-7-14(20-12)13(16-4)8-15-17-10-18-19(15)9-11(2)3/h6-7,10-11,13,16H,5,8-9H2,1-4H3
InChIKeyKEJDMOQOCHOYKP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds7

About 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105000098) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID105000098
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCCc1ccc(C(Cc2ncnn2CC(C)C)NC)o1
InChIInChI=1S/C15H24N4O/c1-5-12-6-7-14(20-12)13(16-4)8-15-17-10-18-19(15)9-11(2)3/h6-7,10-11,13,16H,5,8-9H2,1-4H3
InChIKeyKEJDMOQOCHOYKP-UHFFFAOYSA-N
XLogP2.59
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine 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-(5-ethylfuran-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999769
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(5-methylthiophen-2-yl)ethanamine
CID 104999943
N-methyl-1-(5-methylfuran-3-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999895
N-ethyl-1-(5-ethylfuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997720
1-(5-ethylfuran-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001972
1-(2,5-dichlorophenyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999862
N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(thiadiazol-4-yl)ethanamine
CID 105160728
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 105160734
1-(5-bromo-2-chlorophenyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000124
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-propylhexan-2-amine
CID 104999897
N-methyl-1-(1-methylcyclopentyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000139

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 105000098) is 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CCc1ccc(C(Cc2ncnn2CC(C)C)NC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is KEJDMOQOCHOYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-5-12-6-7-14(20-12)13(16-4)8-15-17-10-18-19(15)9-11(2)3/h6-7,10-11,13,16H,5,8-9H2,1-4H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105000098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).