2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine

C16H21N5O — CID 129486887

IUPAC2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine
SMILESc1ccc(-c2nnnn2C[C@H]2CCC3(CCCCC3)O2)nc1
InChIInChI=1S/C16H21N5O/c1-3-8-16(9-4-1)10-7-13(22-16)12-21-15(18-19-20-21)14-6-2-5-11-17-14/h2,5-6,11,13H,1,3-4,7-10,12H2/t13-/m1/s1
InChIKeyCNYRGRGXZARNLL-CYBMUJFWSA-N
MW299.38 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine

2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine (PubChem CID 129486887) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine
PubChem CID129486887
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine
SMILESc1ccc(-c2nnnn2C[C@H]2CCC3(CCCCC3)O2)nc1
InChIInChI=1S/C16H21N5O/c1-3-8-16(9-4-1)10-7-13(22-16)12-21-15(18-19-20-21)14-6-2-5-11-17-14/h2,5-6,11,13H,1,3-4,7-10,12H2/t13-/m1/s1
InChIKeyCNYRGRGXZARNLL-CYBMUJFWSA-N
XLogP2.62
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine?
The IUPAC name of 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine (CID 129486887) is 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine.
What is the SMILES notation for 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine?
The canonical SMILES for 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine is c1ccc(-c2nnnn2C[C@H]2CCC3(CCCCC3)O2)nc1.
What is the InChIKey of 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine?
The InChIKey is CNYRGRGXZARNLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-8-16(9-4-1)10-7-13(22-16)12-21-15(18-19-20-21)14-6-2-5-11-17-14/h2,5-6,11,13H,1,3-4,7-10,12H2/t13-/m1/s1.
What are the key properties of 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine?
2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine has a molecular weight of 299.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine is sourced from PubChem (CID 129486887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).