2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide

C12H21N5O — CID 113314068

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cc(CN)nn1)C1CCCC1
InChIInChI=1S/C12H21N5O/c1-2-17(11-5-3-4-6-11)12(18)9-16-8-10(7-13)14-15-16/h8,11H,2-7,9,13H2,1H3
InChIKeyHSSNNNLWEFGUCL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.53
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide (PubChem CID 113314068) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
PubChem CID113314068
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
SMILESCCN(C(=O)Cn1cc(CN)nn1)C1CCCC1
InChIInChI=1S/C12H21N5O/c1-2-17(11-5-3-4-6-11)12(18)9-16-8-10(7-13)14-15-16/h8,11H,2-7,9,13H2,1H3
InChIKeyHSSNNNLWEFGUCL-UHFFFAOYSA-N
XLogP0.53
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide 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-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62400586
2-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461579
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-(2-aminoethyl)triazol-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 116642132
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631909
2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
CID 66192880
N-cyclopentyl-N-ethyl-2-(tetrazol-1-yl)acetamide
CID 134060769
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
CID 115459869

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide (CID 113314068) is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide is CCN(C(=O)Cn1cc(CN)nn1)C1CCCC1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide?
The InChIKey is HSSNNNLWEFGUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-17(11-5-3-4-6-11)12(18)9-16-8-10(7-13)14-15-16/h8,11H,2-7,9,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide is sourced from PubChem (CID 113314068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).