[5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

C11H21N5 — CID 82211129

IUPAC[5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1CCN1CCCC1
InChIInChI=1S/C11H21N5/c1-2-11-10(9-12)13-14-16(11)8-7-15-5-3-4-6-15/h2-9,12H2,1H3
InChIKeyBTGRQLHKWYUZRH-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.40
Rot. Bonds5

About [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine

[5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (PubChem CID 82211129) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
PubChem CID82211129
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name[5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1CCN1CCCC1
InChIInChI=1S/C11H21N5/c1-2-11-10(9-12)13-14-16(11)8-7-15-5-3-4-6-15/h2-9,12H2,1H3
InChIKeyBTGRQLHKWYUZRH-UHFFFAOYSA-N
XLogP0.40
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine (CID 82211129) is [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is CCc1c(CN)nnn1CCN1CCCC1.
What is the InChIKey of [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
The InChIKey is BTGRQLHKWYUZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-2-11-10(9-12)13-14-16(11)8-7-15-5-3-4-6-15/h2-9,12H2,1H3.
What are the key properties of [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine?
[5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82211129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).