2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide

C15H21N5O — CID 91813789

IUPAC2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESO=C(CC1CCCC1)NCCCc1cnc2ncnn2c1
InChIInChI=1S/C15H21N5O/c21-14(8-12-4-1-2-5-12)16-7-3-6-13-9-17-15-18-11-19-20(15)10-13/h9-12H,1-8H2,(H,16,21)
InChIKeySOYGRZUEMPOCIV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.75
Rot. Bonds6

About 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide

2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (PubChem CID 91813789) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
PubChem CID91813789
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESO=C(CC1CCCC1)NCCCc1cnc2ncnn2c1
InChIInChI=1S/C15H21N5O/c21-14(8-12-4-1-2-5-12)16-7-3-6-13-9-17-15-18-11-19-20(15)10-13/h9-12H,1-8H2,(H,16,21)
InChIKeySOYGRZUEMPOCIV-UHFFFAOYSA-N
XLogP1.75
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (CID 91813789) is 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is O=C(CC1CCCC1)NCCCc1cnc2ncnn2c1.
What is the InChIKey of 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The InChIKey is SOYGRZUEMPOCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-14(8-12-4-1-2-5-12)16-7-3-6-13-9-17-15-18-11-19-20(15)10-13/h9-12H,1-8H2,(H,16,21).
What are the key properties of 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is sourced from PubChem (CID 91813789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).