1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone

C15H24FN5O — CID 78042938

IUPAC1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
SMILESCC1CC(F)CN1C(=O)CNC1CCC(Cn2cncn2)C1
InChIInChI=1S/C15H24FN5O/c1-11-4-13(16)8-21(11)15(22)6-18-14-3-2-12(5-14)7-20-10-17-9-19-20/h9-14,18H,2-8H2,1H3
InChIKeyVBTQLOHQPKHLRX-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.00
Rot. Bonds5

About 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone

1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone (PubChem CID 78042938) has the molecular formula C15H24FN5O and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
PubChem CID78042938
Molecular FormulaC15H24FN5O
Molecular Weight309.39 g/mol
Exact Mass309.20
IUPAC Name1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
SMILESCC1CC(F)CN1C(=O)CNC1CCC(Cn2cncn2)C1
InChIInChI=1S/C15H24FN5O/c1-11-4-13(16)8-21(11)15(22)6-18-14-3-2-12(5-14)7-20-10-17-9-19-20/h9-14,18H,2-8H2,1H3
InChIKeyVBTQLOHQPKHLRX-UHFFFAOYSA-N
XLogP1.00
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone?
The IUPAC name of 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone (CID 78042938) is 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone.
What is the SMILES notation for 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone?
The canonical SMILES for 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone is CC1CC(F)CN1C(=O)CNC1CCC(Cn2cncn2)C1.
What is the InChIKey of 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone?
The InChIKey is VBTQLOHQPKHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O/c1-11-4-13(16)8-21(11)15(22)6-18-14-3-2-12(5-14)7-20-10-17-9-19-20/h9-14,18H,2-8H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone?
1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone has a molecular weight of 309.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone is sourced from PubChem (CID 78042938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).