1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone

C10H16N4O — CID 167456550

IUPAC1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone
SMILESCCC1CCN(C(=O)Cn2nccn2)C1
InChIInChI=1S/C10H16N4O/c1-2-9-3-6-13(7-9)10(15)8-14-11-4-5-12-14/h4-5,9H,2-3,6-8H2,1H3
InChIKeyQYVFVSYTOASEBA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.54
Rot. Bonds3

About 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone

1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone (PubChem CID 167456550) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone
PubChem CID167456550
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone
SMILESCCC1CCN(C(=O)Cn2nccn2)C1
InChIInChI=1S/C10H16N4O/c1-2-9-3-6-13(7-9)10(15)8-14-11-4-5-12-14/h4-5,9H,2-3,6-8H2,1H3
InChIKeyQYVFVSYTOASEBA-UHFFFAOYSA-N
XLogP0.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone?
The IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone (CID 167456550) is 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone?
The canonical SMILES for 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone is CCC1CCN(C(=O)Cn2nccn2)C1.
What is the InChIKey of 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone?
The InChIKey is QYVFVSYTOASEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-9-3-6-13(7-9)10(15)8-14-11-4-5-12-14/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone?
1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-1-yl)-2-(triazol-2-yl)ethanone is sourced from PubChem (CID 167456550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).