2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

C13H23N5O — CID 86285985

IUPAC2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)CN2CCCCCC2)n[nH]1
InChIInChI=1S/C13H23N5O/c1-10(13-15-11(2)16-17-13)14-12(19)9-18-7-5-3-4-6-8-18/h10H,3-9H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyIQLLOGSQGCVWBV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.17
Rot. Bonds4

About 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide

2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 86285985) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID86285985
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(C(C)NC(=O)CN2CCCCCC2)n[nH]1
InChIInChI=1S/C13H23N5O/c1-10(13-15-11(2)16-17-13)14-12(19)9-18-7-5-3-4-6-8-18/h10H,3-9H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyIQLLOGSQGCVWBV-UHFFFAOYSA-N
XLogP1.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylmethyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]benzamide
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2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
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2-(azepan-1-yl)-N-(3-methylbutan-2-yl)acetamide
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2-(azocan-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8583647
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-1-ylacetamide
CID 8894573
2-ethyl-4-methyl-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 95199242
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-morpholin-4-ylacetamide
CID 86283950
2-(4-methyl-1,4-diazepan-1-yl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 131947582
N-propan-2-yl-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
CID 172511153
2-(azocan-1-yl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 125442415
N-[1-[2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl]ethyl]-2-piperidin-1-ylacetamide
CID 45202562
1-(2-chlorobenzoyl)-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 86285985) is 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc(C(C)NC(=O)CN2CCCCCC2)n[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is IQLLOGSQGCVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(13-15-11(2)16-17-13)14-12(19)9-18-7-5-3-4-6-8-18/h10H,3-9H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 86285985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).