1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one

C15H21N5O2 — CID 47778290

IUPAC1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCCn2ncnc21
InChIInChI=1S/C15H21N5O2/c21-13-8-11(9-19(13)12-4-1-2-5-12)14(22)18-6-3-7-20-15(18)16-10-17-20/h10-12H,1-9H2
InChIKeyZLVNELBNUWOCJF-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.81
Rot. Bonds2

About 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one

1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one (PubChem CID 47778290) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one
PubChem CID47778290
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCCn2ncnc21
InChIInChI=1S/C15H21N5O2/c21-13-8-11(9-19(13)12-4-1-2-5-12)14(22)18-6-3-7-20-15(18)16-10-17-20/h10-12H,1-9H2
InChIKeyZLVNELBNUWOCJF-UHFFFAOYSA-N
XLogP0.81
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one (CID 47778290) is 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCn2ncnc21.
What is the InChIKey of 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one?
The InChIKey is ZLVNELBNUWOCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-13-8-11(9-19(13)12-4-1-2-5-12)14(22)18-6-3-7-20-15(18)16-10-17-20/h10-12H,1-9H2.
What are the key properties of 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one?
1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one has a molecular weight of 303.37 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 47778290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).