6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H23N5O3 — CID 165426886

IUPAC6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnc3nc(C)[nH]n3c1=O)C2
InChIInChI=1S/C17H23N5O3/c1-11-19-16-18-9-12(15(24)22(16)20-11)14(23)21-8-4-7-17(10-21)6-3-5-13(17)25-2/h9,13H,3-8,10H2,1-2H3,(H,18,19,20)/t13-,17-/m1/s1
InChIKeyOIRVULZGGKVBIW-CXAGYDPISA-N
MW345.40 g/mol
LogP1.15
Rot. Bonds2

About 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 165426886) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID165426886
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnc3nc(C)[nH]n3c1=O)C2
InChIInChI=1S/C17H23N5O3/c1-11-19-16-18-9-12(15(24)22(16)20-11)14(23)21-8-4-7-17(10-21)6-3-5-13(17)25-2/h9,13H,3-8,10H2,1-2H3,(H,18,19,20)/t13-,17-/m1/s1
InChIKeyOIRVULZGGKVBIW-CXAGYDPISA-N
XLogP1.15
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 165426886) is 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnc3nc(C)[nH]n3c1=O)C2.
What is the InChIKey of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OIRVULZGGKVBIW-CXAGYDPISA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-19-16-18-9-12(15(24)22(16)20-11)14(23)21-8-4-7-17(10-21)6-3-5-13(17)25-2/h9,13H,3-8,10H2,1-2H3,(H,18,19,20)/t13-,17-/m1/s1.
What are the key properties of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 345.40 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 165426886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).