3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane

C14H19N5O2 — CID 102930588

IUPAC3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(OC2COC3(CCNCC3)C2)n2ncnc2n1
InChIInChI=1S/C14H19N5O2/c1-10-6-12(19-13(18-10)16-9-17-19)21-11-7-14(20-8-11)2-4-15-5-3-14/h6,9,11,15H,2-5,7-8H2,1H3
InChIKeyADNNPNPIIHTLGL-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.72
Rot. Bonds2

About 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane

3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930588) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930588
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
SMILESCc1cc(OC2COC3(CCNCC3)C2)n2ncnc2n1
InChIInChI=1S/C14H19N5O2/c1-10-6-12(19-13(18-10)16-9-17-19)21-11-7-14(20-8-11)2-4-15-5-3-14/h6,9,11,15H,2-5,7-8H2,1H3
InChIKeyADNNPNPIIHTLGL-UHFFFAOYSA-N
XLogP0.72
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

7-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methoxy]-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;hydrochloride
CID 177776819
5-Methyl-7-(piperidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 55065412
4-[(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexan-1-amine
CID 55115603
5-Methyl-7-piperidin-4-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62344052
5-Methyl-7-piperidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62347483
5-Methyl-7-(piperidin-4-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62347553
N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]ethyl]propan-1-amine
CID 62347683
5-Methyl-7-(2-piperidin-2-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62347857
5-Methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62347901
N-methyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]propan-1-amine
CID 62348079
5-Methyl-7-pyrrolidin-3-yloxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62348364
5-Methyl-7-(pyrrolidin-2-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 62348616

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane (CID 102930588) is 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane is Cc1cc(OC2COC3(CCNCC3)C2)n2ncnc2n1.
What is the InChIKey of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ADNNPNPIIHTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-6-12(19-13(18-10)16-9-17-19)21-11-7-14(20-8-11)2-4-15-5-3-14/h6,9,11,15H,2-5,7-8H2,1H3.
What are the key properties of 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane?
3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 289.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).