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

C12H21N5O — CID 63139112

IUPAC3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2nncn2C)CCNC1
InChIInChI=1S/C12H21N5O/c1-4-12(5-6-13-7-12)11(18)15-9(2)10-16-14-8-17(10)3/h8-9,13H,4-7H2,1-3H3,(H,15,18)
InChIKeyJJVWROXMCXXHRK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.38
Rot. Bonds4

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

3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63139112) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63139112
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2nncn2C)CCNC1
InChIInChI=1S/C12H21N5O/c1-4-12(5-6-13-7-12)11(18)15-9(2)10-16-14-8-17(10)3/h8-9,13H,4-7H2,1-3H3,(H,15,18)
InChIKeyJJVWROXMCXXHRK-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
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
2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 83071948
3-ethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147886
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
1-[2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60941712
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 63139112) is 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NC(C)c2nncn2C)CCNC1.
What is the InChIKey of 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is JJVWROXMCXXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-12(5-6-13-7-12)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 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63139112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).