3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine

C9H17N5 — CID 130486233

IUPAC3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
SMILESCCn1nncc1NC1CCN(C)C1
InChIInChI=1S/C9H17N5/c1-3-14-9(6-10-12-14)11-8-4-5-13(2)7-8/h6,8,11H,3-5,7H2,1-2H3
InChIKeyUMLPEOLBTDXFNA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.41
Rot. Bonds3

About 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine

3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine (PubChem CID 130486233) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
PubChem CID130486233
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
SMILESCCn1nncc1NC1CCN(C)C1
InChIInChI=1S/C9H17N5/c1-3-14-9(6-10-12-14)11-8-4-5-13(2)7-8/h6,8,11H,3-5,7H2,1-2H3
InChIKeyUMLPEOLBTDXFNA-UHFFFAOYSA-N
XLogP0.41
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine 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 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
The IUPAC name of 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine (CID 130486233) is 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine.
What is the SMILES notation for 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
The canonical SMILES for 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine is CCn1nncc1NC1CCN(C)C1.
What is the InChIKey of 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
The InChIKey is UMLPEOLBTDXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-14-9(6-10-12-14)11-8-4-5-13(2)7-8/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine?
3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine is sourced from PubChem (CID 130486233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).