(3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C11H17N5O2 — CID 94867424

IUPAC(3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C11H17N5O2/c1-3-16-7-13-14-9(16)5-12-11(18)8-4-10(17)15(2)6-8/h7-8H,3-6H2,1-2H3,(H,12,18)/t8-/m0/s1
InChIKeyNYWUFJUGTSTZHV-QMMMGPOBSA-N
MW251.29 g/mol
LogP-0.61
Rot. Bonds4

About (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 94867424) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID94867424
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCn1cnnc1CNC(=O)[C@H]1CC(=O)N(C)C1
InChIInChI=1S/C11H17N5O2/c1-3-16-7-13-14-9(16)5-12-11(18)8-4-10(17)15(2)6-8/h7-8H,3-6H2,1-2H3,(H,12,18)/t8-/m0/s1
InChIKeyNYWUFJUGTSTZHV-QMMMGPOBSA-N
XLogP-0.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(5-Methyl-1-propan-2-yl-1,2,4-triazol-3-yl)-3-(5-oxo-1-propylpyrrolidin-3-yl)urea
CID 46986374
1-(1-Ethyl-5-oxopyrrolidin-3-yl)-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea
CID 46986458
N-(1-isopropyl-5-methyl-1H-1,2,4-triazol-3-yl)-N'-(1-isopropyl-5-oxopyrrolidin-3-yl)urea
CID 46988147
1-(1-Methyl-5-oxopyrrolidin-3-yl)-3-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)urea
CID 46995709
1-(1,5-Dimethyl-1,2,4-triazol-3-yl)-3-(1-methyl-5-oxopyrrolidin-3-yl)urea
CID 46998153
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 53517601
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56891368
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 56883231
1-tert-butyl-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 128471373
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50977928

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 94867424) is (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CCn1cnnc1CNC(=O)[C@H]1CC(=O)N(C)C1.
What is the InChIKey of (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NYWUFJUGTSTZHV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-16-7-13-14-9(16)5-12-11(18)8-4-10(17)15(2)6-8/h7-8H,3-6H2,1-2H3,(H,12,18)/t8-/m0/s1.
What are the key properties of (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94867424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).