2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide

C12H21N5O — CID 146143039

IUPAC2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC[C@@H]1c1n[nH]c(C)n1
InChIInChI=1S/C12H21N5O/c1-3-6-13-11(18)8-17-7-4-5-10(17)12-14-9(2)15-16-12/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)/t10-/m1/s1
InChIKeyUARKOKRHMWIHJH-SNVBAGLBSA-N
MW251.33 g/mol
LogP0.78
Rot. Bonds5

About 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide

2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide (PubChem CID 146143039) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide
PubChem CID146143039
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC[C@@H]1c1n[nH]c(C)n1
InChIInChI=1S/C12H21N5O/c1-3-6-13-11(18)8-17-7-4-5-10(17)12-14-9(2)15-16-12/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)/t10-/m1/s1
InChIKeyUARKOKRHMWIHJH-SNVBAGLBSA-N
XLogP0.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
CID 124751005
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
3-[3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylic acid
CID 124846716
N-(2,5-difluorophenyl)-3-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
CID 124754915
N-(2-chloro-4,6-dimethylphenyl)-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propanamide
CID 91844044
2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370340
N-butyl-2-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 97253484
4-chloro-5-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 77082520
1-[2-oxo-2-(propylamino)ethyl]azepane-2-carboxylic acid
CID 64564538
3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124750128
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 129492114

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide (CID 146143039) is 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC[C@@H]1c1n[nH]c(C)n1.
What is the InChIKey of 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide?
The InChIKey is UARKOKRHMWIHJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-6-13-11(18)8-17-7-4-5-10(17)12-14-9(2)15-16-12/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide?
2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 146143039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).