2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H26N6O3 — CID 131902221

IUPAC2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN1CCOC2(CCN(C(=O)c3cnc4nc(C)[nH]n4c3=O)CC2)C1
InChIInChI=1S/C18H26N6O3/c1-3-6-22-9-10-27-18(12-22)4-7-23(8-5-18)15(25)14-11-19-17-20-13(2)21-24(17)16(14)26/h11H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyORHMBEOYVUMYBO-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.44
Rot. Bonds3

About 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 131902221) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID131902221
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCN1CCOC2(CCN(C(=O)c3cnc4nc(C)[nH]n4c3=O)CC2)C1
InChIInChI=1S/C18H26N6O3/c1-3-6-22-9-10-27-18(12-22)4-7-23(8-5-18)15(25)14-11-19-17-20-13(2)21-24(17)16(14)26/h11H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyORHMBEOYVUMYBO-UHFFFAOYSA-N
XLogP0.44
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 131902221) is 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCN1CCOC2(CCN(C(=O)c3cnc4nc(C)[nH]n4c3=O)CC2)C1.
What is the InChIKey of 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ORHMBEOYVUMYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-3-6-22-9-10-27-18(12-22)4-7-23(8-5-18)15(25)14-11-19-17-20-13(2)21-24(17)16(14)26/h11H,3-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 374.45 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 131902221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).