1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone

C11H16N4O — CID 121184476

IUPAC1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H16N4O/c1-8(16)14-5-4-10(6-14)15-7-11(12-13-15)9-2-3-9/h7,9-10H,2-6H2,1H3
InChIKeyPNUAXKWXKKVKGE-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.95
Rot. Bonds2

About 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone

1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone (PubChem CID 121184476) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
PubChem CID121184476
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C11H16N4O/c1-8(16)14-5-4-10(6-14)15-7-11(12-13-15)9-2-3-9/h7,9-10H,2-6H2,1H3
InChIKeyPNUAXKWXKKVKGE-UHFFFAOYSA-N
XLogP0.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone (CID 121184476) is 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is PNUAXKWXKKVKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8(16)14-5-4-10(6-14)15-7-11(12-13-15)9-2-3-9/h7,9-10H,2-6H2,1H3.
What are the key properties of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone?
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 220.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121184476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).