2-[2-(triazol-1-yl)ethyl]azepane

C10H18N4 — CID 141161255

IUPAC2-[2-(triazol-1-yl)ethyl]azepane
SMILESc1cn(CCC2CCCCCN2)nn1
InChIInChI=1S/C10H18N4/c1-2-4-10(11-6-3-1)5-8-14-9-7-12-13-14/h7,9-11H,1-6,8H2
InChIKeyQKFJVLZYITWMHV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.20
Rot. Bonds3

About 2-[2-(triazol-1-yl)ethyl]azepane

2-[2-(triazol-1-yl)ethyl]azepane (PubChem CID 141161255) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[2-(triazol-1-yl)ethyl]azepane.

Molecular Properties

Compound Name2-[2-(triazol-1-yl)ethyl]azepane
PubChem CID141161255
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[2-(triazol-1-yl)ethyl]azepane
SMILESc1cn(CCC2CCCCCN2)nn1
InChIInChI=1S/C10H18N4/c1-2-4-10(11-6-3-1)5-8-14-9-7-12-13-14/h7,9-11H,1-6,8H2
InChIKeyQKFJVLZYITWMHV-UHFFFAOYSA-N
XLogP1.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(triazol-1-yl)ethyl]azepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
CID 98042437
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627006
2-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidine
CID 84657646
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine
CID 62342583
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
2-[2-[4-(2-cyclohexyl-1,2,4-triazol-3-yl)triazol-1-yl]ethyl]piperidine
CID 72873693
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106611713
2-(2-pyridin-4-ylethyl)azepane
CID 104703875

Frequently Asked Questions

What is the IUPAC name of 2-[2-(triazol-1-yl)ethyl]azepane?
The IUPAC name of 2-[2-(triazol-1-yl)ethyl]azepane (CID 141161255) is 2-[2-(triazol-1-yl)ethyl]azepane.
What is the SMILES notation for 2-[2-(triazol-1-yl)ethyl]azepane?
The canonical SMILES for 2-[2-(triazol-1-yl)ethyl]azepane is c1cn(CCC2CCCCCN2)nn1.
What is the InChIKey of 2-[2-(triazol-1-yl)ethyl]azepane?
The InChIKey is QKFJVLZYITWMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-4-10(11-6-3-1)5-8-14-9-7-12-13-14/h7,9-11H,1-6,8H2.
What are the key properties of 2-[2-(triazol-1-yl)ethyl]azepane?
2-[2-(triazol-1-yl)ethyl]azepane has a molecular weight of 194.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(triazol-1-yl)ethyl]azepane is sourced from PubChem (CID 141161255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).