3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide

C16H24N6O3 — CID 167842654

IUPAC3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide
SMILESO=C(CCC1CCC(=O)N1)NCC1(NC(=O)CCn2cncn2)CC1
InChIInChI=1S/C16H24N6O3/c23-13(3-1-12-2-4-14(24)20-12)18-9-16(6-7-16)21-15(25)5-8-22-11-17-10-19-22/h10-12H,1-9H2,(H,18,23)(H,20,24)(H,21,25)
InChIKeyWRFPCYAIZPOOKL-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.51
Rot. Bonds9

About 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide

3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide (PubChem CID 167842654) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide
PubChem CID167842654
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide
SMILESO=C(CCC1CCC(=O)N1)NCC1(NC(=O)CCn2cncn2)CC1
InChIInChI=1S/C16H24N6O3/c23-13(3-1-12-2-4-14(24)20-12)18-9-16(6-7-16)21-15(25)5-8-22-11-17-10-19-22/h10-12H,1-9H2,(H,18,23)(H,20,24)(H,21,25)
InChIKeyWRFPCYAIZPOOKL-UHFFFAOYSA-N
XLogP-0.51
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide (CID 167842654) is 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide is O=C(CCC1CCC(=O)N1)NCC1(NC(=O)CCn2cncn2)CC1.
What is the InChIKey of 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide?
The InChIKey is WRFPCYAIZPOOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c23-13(3-1-12-2-4-14(24)20-12)18-9-16(6-7-16)21-15(25)5-8-22-11-17-10-19-22/h10-12H,1-9H2,(H,18,23)(H,20,24)(H,21,25).
What are the key properties of 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide?
3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide has a molecular weight of 348.41 g/mol, XLogP of -0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide is sourced from PubChem (CID 167842654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).