2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide

C12H21N5O — CID 114136466

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
SMILESNc1ncn(CC(=O)NCCCC2CCCC2)n1
InChIInChI=1S/C12H21N5O/c13-12-15-9-17(16-12)8-11(18)14-7-3-6-10-4-1-2-5-10/h9-10H,1-8H2,(H2,13,16)(H,14,18)
InChIKeyDLLNVOKUBZIFBF-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.95
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide (PubChem CID 114136466) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
PubChem CID114136466
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
SMILESNc1ncn(CC(=O)NCCCC2CCCC2)n1
InChIInChI=1S/C12H21N5O/c13-12-15-9-17(16-12)8-11(18)14-7-3-6-10-4-1-2-5-10/h9-10H,1-8H2,(H2,13,16)(H,14,18)
InChIKeyDLLNVOKUBZIFBF-UHFFFAOYSA-N
XLogP0.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 53520691
N-(dicyclopropylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53593797
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 53598176
N-cycloheptyl-2-(1,2,4-triazol-1-yl)acetamide
CID 39903772
N-(dicyclopropylmethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 47020126
N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide
CID 51079283
N'-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-N-(2-propan-2-ylcyclohexyl)oxamide
CID 75443568
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1S,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 11716315
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1S,3R)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 58845502
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 70255389
1-[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-2-[[(1R,3S)-3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 71232264
1-(4-Fluoro-2-methylpyrrolidin-1-yl)-2-[[3-(1,2,4-triazol-1-ylmethyl)cyclopentyl]amino]ethanone
CID 78042938

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide (CID 114136466) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide is Nc1ncn(CC(=O)NCCCC2CCCC2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide?
The InChIKey is DLLNVOKUBZIFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-12-15-9-17(16-12)8-11(18)14-7-3-6-10-4-1-2-5-10/h9-10H,1-8H2,(H2,13,16)(H,14,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide is sourced from PubChem (CID 114136466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).