2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one

C14H24N4O — CID 114213074

IUPAC2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCn1nncc1C(=O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-4-14(5-2,17-9-7-8-10-17)13(19)12-11-15-16-18(12)6-3/h11H,4-10H2,1-3H3
InChIKeyFLVFMAJVVGSYHQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds6

About 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one

2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 114213074) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID114213074
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCn1nncc1C(=O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-4-14(5-2,17-9-7-8-10-17)13(19)12-11-15-16-18(12)6-3/h11H,4-10H2,1-3H3
InChIKeyFLVFMAJVVGSYHQ-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one 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 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one (CID 114213074) is 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one is CCn1nncc1C(=O)C(CC)(CC)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is FLVFMAJVVGSYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-14(5-2,17-9-7-8-10-17)13(19)12-11-15-16-18(12)6-3/h11H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one?
2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 264.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethyltriazol-4-yl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 114213074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).