N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine

C11H22N4 — CID 82930776

IUPACN-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCCNCc1ncnn1CC(CC)CC
InChIInChI=1S/C11H22N4/c1-4-10(5-2)8-15-11(7-12-6-3)13-9-14-15/h9-10,12H,4-8H2,1-3H3
InChIKeyLLZIGRYNFJCLFA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.82
Rot. Bonds7

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

N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine (PubChem CID 82930776) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine
PubChem CID82930776
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCCNCc1ncnn1CC(CC)CC
InChIInChI=1S/C11H22N4/c1-4-10(5-2)8-15-11(7-12-6-3)13-9-14-15/h9-10,12H,4-8H2,1-3H3
InChIKeyLLZIGRYNFJCLFA-UHFFFAOYSA-N
XLogP1.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]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

N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
2-chloro-4-methyl-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pentan-1-amine
CID 107155976
2-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 102698021
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
N-[[5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782045
1-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151899
N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107447340
N-[[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 102620068
2-[3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propoxy]ethanol
CID 106309909
2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-3-methylsulfanylpropan-2-ol
CID 106247179
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
(2S)-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanoic acid
CID 83195321

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine (CID 82930776) is N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine is CCNCc1ncnn1CC(CC)CC.
What is the InChIKey of N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The InChIKey is LLZIGRYNFJCLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-10(5-2)8-15-11(7-12-6-3)13-9-14-15/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine has a molecular weight of 210.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylbutyl)-1,2,4-triazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 82930776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).