[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C16H22N6O2 — CID 164689120

IUPAC[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3nc4ncccn4n3)C2)C1
InChIInChI=1S/C16H22N6O2/c1-20-9-4-12(23)16(10-20)5-2-7-21(11-16)14(24)13-18-15-17-6-3-8-22(15)19-13/h3,6,8,12,23H,2,4-5,7,9-11H2,1H3/t12-,16-/m0/s1
InChIKeyZZENTHJTNSPMRF-LRDDRELGSA-N
MW330.39 g/mol
LogP0.04
Rot. Bonds1

About [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 164689120) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID164689120
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3nc4ncccn4n3)C2)C1
InChIInChI=1S/C16H22N6O2/c1-20-9-4-12(23)16(10-20)5-2-7-21(11-16)14(24)13-18-15-17-6-3-8-22(15)19-13/h3,6,8,12,23H,2,4-5,7,9-11H2,1H3/t12-,16-/m0/s1
InChIKeyZZENTHJTNSPMRF-LRDDRELGSA-N
XLogP0.04
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 164689120) is [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is CN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3nc4ncccn4n3)C2)C1.
What is the InChIKey of [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is ZZENTHJTNSPMRF-LRDDRELGSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20-9-4-12(23)16(10-20)5-2-7-21(11-16)14(24)13-18-15-17-6-3-8-22(15)19-13/h3,6,8,12,23H,2,4-5,7,9-11H2,1H3/t12-,16-/m0/s1.
What are the key properties of [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 164689120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).