N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C14H23N5O2 — CID 70704359

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nc(C)n(CCNC(=O)C2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C14H23N5O2/c1-9(2)18-8-12(7-13(18)20)14(21)15-5-6-19-11(4)16-10(3)17-19/h9,12H,5-8H2,1-4H3,(H,15,21)
InChIKeyREWDCDYBGXOQFP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.27
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 70704359) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID70704359
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nc(C)n(CCNC(=O)C2CC(=O)N(C(C)C)C2)n1
InChIInChI=1S/C14H23N5O2/c1-9(2)18-8-12(7-13(18)20)14(21)15-5-6-19-11(4)16-10(3)17-19/h9,12H,5-8H2,1-4H3,(H,15,21)
InChIKeyREWDCDYBGXOQFP-UHFFFAOYSA-N
XLogP0.27
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 70704359) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1nc(C)n(CCNC(=O)C2CC(=O)N(C(C)C)C2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is REWDCDYBGXOQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)18-8-12(7-13(18)20)14(21)15-5-6-19-11(4)16-10(3)17-19/h9,12H,5-8H2,1-4H3,(H,15,21).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70704359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).