6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol

C17H25N5O2 — CID 70764731

IUPAC6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol
SMILESOC1(CN2CCC(c3nnc4ccccn34)CC2)CNCCOC1
InChIInChI=1S/C17H25N5O2/c23-17(11-18-6-10-24-13-17)12-21-8-4-14(5-9-21)16-20-19-15-3-1-2-7-22(15)16/h1-3,7,14,18,23H,4-6,8-13H2
InChIKeyUYDRARDEXGSYJV-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.26
Rot. Bonds3

About 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol

6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol (PubChem CID 70764731) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol
PubChem CID70764731
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol
SMILESOC1(CN2CCC(c3nnc4ccccn34)CC2)CNCCOC1
InChIInChI=1S/C17H25N5O2/c23-17(11-18-6-10-24-13-17)12-21-8-4-14(5-9-21)16-20-19-15-3-1-2-7-22(15)16/h1-3,7,14,18,23H,4-6,8-13H2
InChIKeyUYDRARDEXGSYJV-UHFFFAOYSA-N
XLogP0.26
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol (CID 70764731) is 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol is OC1(CN2CCC(c3nnc4ccccn34)CC2)CNCCOC1.
What is the InChIKey of 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol?
The InChIKey is UYDRARDEXGSYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-17(11-18-6-10-24-13-17)12-21-8-4-14(5-9-21)16-20-19-15-3-1-2-7-22(15)16/h1-3,7,14,18,23H,4-6,8-13H2.
What are the key properties of 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol?
6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol has a molecular weight of 331.42 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70764731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).