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

C13H23N5O — CID 97255946

IUPAC(2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](C)c1nncn1C
InChIInChI=1S/C13H23N5O/c1-5-11-7-6-9(2)18(11)13(19)15-10(3)12-16-14-8-17(12)4/h8-11H,5-7H2,1-4H3,(H,15,19)/t9-,10-,11+/m0/s1
InChIKeyXPCLXIJGERXNDG-GARJFASQSA-N
MW265.36 g/mol
LogP1.85
Rot. Bonds3

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

(2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 97255946) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID97255946
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](C)c1nncn1C
InChIInChI=1S/C13H23N5O/c1-5-11-7-6-9(2)18(11)13(19)15-10(3)12-16-14-8-17(12)4/h8-11H,5-7H2,1-4H3,(H,15,19)/t9-,10-,11+/m0/s1
InChIKeyXPCLXIJGERXNDG-GARJFASQSA-N
XLogP1.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

(2R,5S)-2-ethyl-5-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 98856004
2-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780468
2-[1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62118143
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 71892968
(2S)-2-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 94120119
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867814
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922
2-(1-ethylpiperidin-4-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 72855447
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 97190566
(2R)-2-(4-ethoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 94120113
(2S)-4-methyl-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenylpiperazine-1-carboxamide
CID 97312001

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide (CID 97255946) is (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide is CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H](C)c1nncn1C.
What is the InChIKey of (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is XPCLXIJGERXNDG-GARJFASQSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-11-7-6-9(2)18(11)13(19)15-10(3)12-16-14-8-17(12)4/h8-11H,5-7H2,1-4H3,(H,15,19)/t9-,10-,11+/m0/s1.
What are the key properties of (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide?
(2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethyl-5-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97255946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).