2-(1-benzyltriazol-4-yl)ethanamine

C11H14N4 — CID 83638080

IUPAC2-(1-benzyltriazol-4-yl)ethanamine
SMILESNCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H14N4/c12-7-6-11-9-15(14-13-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8,12H2
InChIKeyCMTOAJDXSKQESE-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.83
Rot. Bonds4

About 2-(1-benzyltriazol-4-yl)ethanamine

2-(1-benzyltriazol-4-yl)ethanamine (PubChem CID 83638080) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(1-benzyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzyltriazol-4-yl)ethanamine
PubChem CID83638080
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(1-benzyltriazol-4-yl)ethanamine
SMILESNCCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H14N4/c12-7-6-11-9-15(14-13-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8,12H2
InChIKeyCMTOAJDXSKQESE-UHFFFAOYSA-N
XLogP0.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
1,4-dibenzyltriazole
CID 56663361
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
1-benzyl-4-pentyltriazole
CID 71590860
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
2-[1-[(4-methylsulfonylphenyl)methyl]triazol-4-yl]ethanamine
CID 45490104
1-benzyl-4-[2-(3,4-difluorophenyl)ethyl]triazole
CID 112719016
3-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106220698
1-benzyl-4-(2-thiophen-2-ylethyl)triazole
CID 112718862
3-[[4-(2-aminoethyl)triazol-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 116642314
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082
2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641989

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-benzyltriazol-4-yl)ethanamine (CID 83638080) is 2-(1-benzyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-benzyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-benzyltriazol-4-yl)ethanamine is NCCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 2-(1-benzyltriazol-4-yl)ethanamine?
The InChIKey is CMTOAJDXSKQESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-7-6-11-9-15(14-13-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8,12H2.
What are the key properties of 2-(1-benzyltriazol-4-yl)ethanamine?
2-(1-benzyltriazol-4-yl)ethanamine has a molecular weight of 202.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltriazol-4-yl)ethanamine is sourced from PubChem (CID 83638080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).