1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole

C8H14N4 — CID 174742689

IUPAC1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole
SMILESCCn1ncnc1N1CCCC1
InChIInChI=1S/C8H14N4/c1-2-12-8(9-7-10-12)11-5-3-4-6-11/h7H,2-6H2,1H3
InChIKeyYDPCELOXVZJOML-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.90
Rot. Bonds2

About 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole

1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole (PubChem CID 174742689) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole
PubChem CID174742689
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole
SMILESCCn1ncnc1N1CCCC1
InChIInChI=1S/C8H14N4/c1-2-12-8(9-7-10-12)11-5-3-4-6-11/h7H,2-6H2,1H3
InChIKeyYDPCELOXVZJOML-UHFFFAOYSA-N
XLogP0.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole 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

5-chloro-1-ethyl-1,2,4-triazole
CID 45117660
5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole
CID 117190585
1-ethyl-5-ethynyl-1,2,4-triazole
CID 115011095
1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 126978879
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
3-ethyl-2-piperidin-1-ylimidazol-4-amine
CID 117190590
7-(azepan-1-yl)-3-ethyltriazolo[4,5-d]pyrimidine
CID 7584315
1-ethyl-5-methyliodanuidyl-1,2,4-triazole
CID 178160647
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170581879
3-(2-ethyl-1,2,4-triazol-3-yl)cyclohept-2-en-1-one
CID 130529996

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole (CID 174742689) is 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole is CCn1ncnc1N1CCCC1.
What is the InChIKey of 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole?
The InChIKey is YDPCELOXVZJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-12-8(9-7-10-12)11-5-3-4-6-11/h7H,2-6H2,1H3.
What are the key properties of 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole?
1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole has a molecular weight of 166.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-pyrrolidin-1-yl-1,2,4-triazole is sourced from PubChem (CID 174742689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).