2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C16H26N4O — CID 79058694

IUPAC2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCCCn1ncnc1CC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H26N4O/c1-2-9-20-15(17-13-18-20)12-14(21)16(7-3-4-8-16)19-10-5-6-11-19/h13H,2-12H2,1H3
InChIKeyXRGOLPRNOPNSOV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds6

About 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 79058694) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID79058694
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCCCn1ncnc1CC(=O)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H26N4O/c1-2-9-20-15(17-13-18-20)12-14(21)16(7-3-4-8-16)19-10-5-6-11-19/h13H,2-12H2,1H3
InChIKeyXRGOLPRNOPNSOV-UHFFFAOYSA-N
XLogP2.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79065968
1-(1-ethoxycyclohexyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116748443
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)but-3-en-2-one
CID 103446445
(E)-1-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103453420
1-(2-propyl-1,2,4-triazol-3-yl)heptan-2-one
CID 115779985
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580542
1-(1-piperidin-1-ylcyclopentyl)butan-1-one
CID 79059234
[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025427
(E)-1-(2-propyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103454304
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
1-(1,5-dimethylpyrazol-4-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 105112177

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 79058694) is 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is CCCn1ncnc1CC(=O)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is XRGOLPRNOPNSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-9-20-15(17-13-18-20)12-14(21)16(7-3-4-8-16)19-10-5-6-11-19/h13H,2-12H2,1H3.
What are the key properties of 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,2,4-triazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 79058694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).