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

C12H21N5O — CID 83071948

IUPAC2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)c2nncn2C)CCCN1
InChIInChI=1S/C12H21N5O/c1-4-12(6-5-7-13-12)11(18)15-9(2)10-16-14-8-17(10)3/h8-9,13H,4-7H2,1-3H3,(H,15,18)
InChIKeyWAWXDSSCRGIKIZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.52
Rot. Bonds4

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

2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 83071948) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID83071948
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)c2nncn2C)CCCN1
InChIInChI=1S/C12H21N5O/c1-4-12(6-5-7-13-12)11(18)15-9(2)10-16-14-8-17(10)3/h8-9,13H,4-7H2,1-3H3,(H,15,18)
InChIKeyWAWXDSSCRGIKIZ-UHFFFAOYSA-N
XLogP0.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 63130828
3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63139112
2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 83071924
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
CID 83073993
2-ethyl-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 83080528
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60941712
4-carbamothioyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]oxane-4-carboxamide
CID 62116994
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83072179
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
CID 43706301
1-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94119990
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83079547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 83071948) is 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NC(C)c2nncn2C)CCCN1.
What is the InChIKey of 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is WAWXDSSCRGIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-12(6-5-7-13-12)11(18)15-9(2)10-16-14-8-17(10)3/h8-9,13H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).