(8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane

C14H19N5O2 — CID 124789987

IUPAC(8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCO[C@H]1CCOC2(C1)CN(c1cc(C)nc3ncnn13)C2
InChIInChI=1S/C14H19N5O2/c1-10-5-12(19-13(17-10)15-9-16-19)18-7-14(8-18)6-11(20-2)3-4-21-14/h5,9,11H,3-4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyKQHORRDLAPRJGT-NSHDSACASA-N
MW289.34 g/mol
LogP0.82
Rot. Bonds2

About (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124789987) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124789987
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCO[C@H]1CCOC2(C1)CN(c1cc(C)nc3ncnn13)C2
InChIInChI=1S/C14H19N5O2/c1-10-5-12(19-13(17-10)15-9-16-19)18-7-14(8-18)6-11(20-2)3-4-21-14/h5,9,11H,3-4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyKQHORRDLAPRJGT-NSHDSACASA-N
XLogP0.82
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 32810016
2,2,6-Trimethyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 56820118
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72102694
2,2,6-Trimethyl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 48631579
N-methyl-N-(oxan-2-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56818204
N,5-dimethyl-N-(oxan-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56818205
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580694
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580695
N,5-dimethyl-N-[[(2S)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580696
N,5-dimethyl-N-[[(2R)-oxan-2-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580697
7-(3-Propan-2-yloxyazetidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 132314321
7-(3-Ethoxypiperidin-1-yl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274321

Frequently Asked Questions

What is the IUPAC name of (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124789987) is (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane is CO[C@H]1CCOC2(C1)CN(c1cc(C)nc3ncnn13)C2.
What is the InChIKey of (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is KQHORRDLAPRJGT-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-5-12(19-13(17-10)15-9-16-19)18-7-14(8-18)6-11(20-2)3-4-21-14/h5,9,11H,3-4,6-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 289.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124789987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).