2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide

C15H27N5O — CID 122560853

IUPAC2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CN1CCCCCC1)c1ncnn1CC
InChIInChI=1S/C15H27N5O/c1-3-13(15-16-12-17-20(15)4-2)18-14(21)11-19-9-7-5-6-8-10-19/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyUBBGLCFXMIZPKO-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.74
Rot. Bonds6

About 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide

2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 122560853) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID122560853
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)CN1CCCCCC1)c1ncnn1CC
InChIInChI=1S/C15H27N5O/c1-3-13(15-16-12-17-20(15)4-2)18-14(21)11-19-9-7-5-6-8-10-19/h12-13H,3-11H2,1-2H3,(H,18,21)
InChIKeyUBBGLCFXMIZPKO-UHFFFAOYSA-N
XLogP1.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-pyrazol-1-ylacetamide
CID 125437788
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-(triazol-1-yl)acetamide
CID 126442236
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,4,4-trifluorobutanamide
CID 91796632
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 126446042
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 125160819
3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125438329
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 125435535
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-2-propylpyrazole-3-carboxamide
CID 125446560
(E)-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 125447530
(E)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-phenylprop-2-enamide
CID 122571400
2-[4-[1-(2-ethyl-1,2,4-triazol-3-yl)propylcarbamoyl]phenyl]pyridine-4-carboxylic acid
CID 121497701

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 122560853) is 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide is CCC(NC(=O)CN1CCCCCC1)c1ncnn1CC.
What is the InChIKey of 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is UBBGLCFXMIZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-13(15-16-12-17-20(15)4-2)18-14(21)11-19-9-7-5-6-8-10-19/h12-13H,3-11H2,1-2H3,(H,18,21).
What are the key properties of 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 122560853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).