N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

C12H21N5O2 — CID 131894887

IUPACN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCCc1n[nH]c(=O)n1C)N1CCCC1
InChIInChI=1S/C12H21N5O2/c1-9(17-7-3-4-8-17)11(18)13-6-5-10-14-15-12(19)16(10)2/h9H,3-8H2,1-2H3,(H,13,18)(H,15,19)
InChIKeyQRBGTXMLJRJFJH-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.75
Rot. Bonds5

About N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide

N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 131894887) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID131894887
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)NCCc1n[nH]c(=O)n1C)N1CCCC1
InChIInChI=1S/C12H21N5O2/c1-9(17-7-3-4-8-17)11(18)13-6-5-10-14-15-12(19)16(10)2/h9H,3-8H2,1-2H3,(H,13,18)(H,15,19)
InChIKeyQRBGTXMLJRJFJH-UHFFFAOYSA-N
XLogP-0.75
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
CID 90873240
3-[1-(2-Methylpropanoyl)pyrrolidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 172548546
1-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 176026082
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 46525081
N-ethyl-2-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]propanamide
CID 47119014
3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 53625827
6-[propyl(pyrrolidin-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63304045
(2S)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95352823
(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95352824
6-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 104408504
2-[cyclohexyl(methyl)amino]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]propanamide
CID 124213783
(2R)-2-[cyclohexyl(methyl)amino]-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]propanamide
CID 125523315

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide (CID 131894887) is N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is CC(C(=O)NCCc1n[nH]c(=O)n1C)N1CCCC1.
What is the InChIKey of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is QRBGTXMLJRJFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9(17-7-3-4-8-17)11(18)13-6-5-10-14-15-12(19)16(10)2/h9H,3-8H2,1-2H3,(H,13,18)(H,15,19).
What are the key properties of N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide?
N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 267.33 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 131894887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).