2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide

C13H23N5O — CID 122557943

IUPAC2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCn1ccnn1)N1CCCCCC1
InChIInChI=1S/C13H23N5O/c1-12(17-8-4-2-3-5-9-17)13(19)14-6-10-18-11-7-15-16-18/h7,11-12H,2-6,8-10H2,1H3,(H,14,19)
InChIKeyUVQJPPQTOAWIMV-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.66
Rot. Bonds5

About 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide

2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide (PubChem CID 122557943) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
PubChem CID122557943
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCn1ccnn1)N1CCCCCC1
InChIInChI=1S/C13H23N5O/c1-12(17-8-4-2-3-5-9-17)13(19)14-6-10-18-11-7-15-16-18/h7,11-12H,2-6,8-10H2,1H3,(H,14,19)
InChIKeyUVQJPPQTOAWIMV-UHFFFAOYSA-N
XLogP0.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
CID 104903965
2-(2-propan-2-ylimidazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122560829
(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 95905700
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
2-(azepan-1-yl)-N-[2-(ethylamino)ethyl]propanamide;dihydrochloride
CID 119505664
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
3-(2-oxoazepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide
CID 122570220
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
(2S)-4-methyl-2-[2-(triazol-1-yl)ethylcarbamoylamino]pentanoic acid
CID 113413075
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide (CID 122557943) is 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide is CC(C(=O)NCCn1ccnn1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
The InChIKey is UVQJPPQTOAWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-12(17-8-4-2-3-5-9-17)13(19)14-6-10-18-11-7-15-16-18/h7,11-12H,2-6,8-10H2,1H3,(H,14,19).
What are the key properties of 2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide?
2-(azepan-1-yl)-N-[2-(triazol-1-yl)ethyl]propanamide has a molecular weight of 265.36 g/mol, XLogP of 0.66, 5 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-[2-(triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 122557943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).