[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol

C16H23N5O — CID 166278065

IUPAC[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol
SMILESOCc1cccc(-c2cn(CCN3CCCCCC3)nn2)n1
InChIInChI=1S/C16H23N5O/c22-13-14-6-5-7-15(17-14)16-12-21(19-18-16)11-10-20-8-3-1-2-4-9-20/h5-7,12,22H,1-4,8-11,13H2
InChIKeyGJYZHHXSUHYAMW-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.71
Rot. Bonds5

About [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol

[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol (PubChem CID 166278065) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol
PubChem CID166278065
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol
SMILESOCc1cccc(-c2cn(CCN3CCCCCC3)nn2)n1
InChIInChI=1S/C16H23N5O/c22-13-14-6-5-7-15(17-14)16-12-21(19-18-16)11-10-20-8-3-1-2-4-9-20/h5-7,12,22H,1-4,8-11,13H2
InChIKeyGJYZHHXSUHYAMW-UHFFFAOYSA-N
XLogP1.71
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol (CID 166278065) is [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol is OCc1cccc(-c2cn(CCN3CCCCCC3)nn2)n1.
What is the InChIKey of [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol?
The InChIKey is GJYZHHXSUHYAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-13-14-6-5-7-15(17-14)16-12-21(19-18-16)11-10-20-8-3-1-2-4-9-20/h5-7,12,22H,1-4,8-11,13H2.
What are the key properties of [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol?
[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol has a molecular weight of 301.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 166278065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).