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

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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).