N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C15H23N5O3 — CID 91765641

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCC2=O)C1
InChIInChI=1S/C15H23N5O3/c1-2-20-12(9-21)17-18-15(20)10-6-11(7-10)16-13(22)8-19-5-3-4-14(19)23/h10-11,21H,2-9H2,1H3,(H,16,22)
InChIKeyUBSWWEMKTQACSV-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.23
Rot. Bonds6

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 91765641) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID91765641
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CN2CCCC2=O)C1
InChIInChI=1S/C15H23N5O3/c1-2-20-12(9-21)17-18-15(20)10-6-11(7-10)16-13(22)8-19-5-3-4-14(19)23/h10-11,21H,2-9H2,1H3,(H,16,22)
InChIKeyUBSWWEMKTQACSV-UHFFFAOYSA-N
XLogP-0.23
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylbutanamide
CID 53521520
1-{[5-(cis-3-aminocyclobutyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5,5-trimethylimidazolidine-2,4-dione
CID 91766554
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428
(3S)-3-[[5-cyclopentyl-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]methyl]-4-propan-2-ylpiperazin-2-one
CID 97454736
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707644
2-acetamido-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methylbutanamide
CID 53517727
2-[methyl({4-methyl-5-[1-(N-methylglycyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)amino]ethanol
CID 70706029
2-methyl-N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 71930319
3-{[3-cyclopentyl-1-(2-hydroxyethyl)-1H-1,2,4-triazol-5-yl]methyl}-4-isopropylpiperazin-2-one
CID 72927099
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)butanamide
CID 75507628
5-[[3-(Hydroxymethyl)-1,2,4-triazol-4-yl]methyl]pyrrolidin-2-one
CID 81665906
N-[1-({4-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)butyl]acetamide
CID 90652202

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 91765641) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide is CCn1c(CO)nnc1C1CC(NC(=O)CN2CCCC2=O)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is UBSWWEMKTQACSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-2-20-12(9-21)17-18-15(20)10-6-11(7-10)16-13(22)8-19-5-3-4-14(19)23/h10-11,21H,2-9H2,1H3,(H,16,22).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 91765641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).