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

C12H21N5O — CID 83071924

IUPAC2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCc2nncn2C)CCCN1
InChIInChI=1S/C12H21N5O/c1-3-12(6-4-7-14-12)11(18)13-8-5-10-16-15-9-17(10)2/h9,14H,3-8H2,1-2H3,(H,13,18)
InChIKeyMWJBZCMIFZEZHA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.01
Rot. Bonds5

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

2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 83071924) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID83071924
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCc2nncn2C)CCCN1
InChIInChI=1S/C12H21N5O/c1-3-12(6-4-7-14-12)11(18)13-8-5-10-16-15-9-17(10)2/h9,14H,3-8H2,1-2H3,(H,13,18)
InChIKeyMWJBZCMIFZEZHA-UHFFFAOYSA-N
XLogP0.01
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-carbamothioyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 80591373
2-ethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 83071948
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
2-ethyl-N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 83079726
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975529
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 81168802
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83079547
1-ethyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiourea
CID 116508555

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 83071924) is 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCCc2nncn2C)CCCN1.
What is the InChIKey of 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MWJBZCMIFZEZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-12(6-4-7-14-12)11(18)13-8-5-10-16-15-9-17(10)2/h9,14H,3-8H2,1-2H3,(H,13,18).
What are the key properties of 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).