(5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H26N6O2 — CID 98264452

About (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 98264452) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 98264452
• Molecular Formula: C19H26N6O2
• Molecular Weight: 370.46 g/mol
• Exact Mass: 370.21
• IUPAC Name: (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: O=C1N(CC2CCC2)CCC[C@@]12CCN(Cc1cc(=O)n3[nH]cnc3n1)C2
• InChI: InChI=1S/C19H26N6O2/c26-16-9-15(22-18-20-13-21-25(16)18)11-23-8-6-19(12-23)5-2-7-24(17(19)27)10-14-3-1-4-14/h9,13-14H,1-8,10-12H2,(H,20,21,22)/t19-/m0/s1
• InChIKey: MZEBDLJNAZFFHE-IBGZPJMESA-N
• XLogP: 1.03
• TPSA: 86.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.46
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 98264452) is (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCC2)CCC[C@@]12CCN(Cc1cc(=O)n3[nH]cnc3n1)C2.

What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is MZEBDLJNAZFFHE-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N6O2/c26-16-9-15(22-18-20-13-21-25(16)18)11-23-8-6-19(12-23)5-2-7-24(17(19)27)10-14-3-1-4-14/h9,13-14H,1-8,10-12H2,(H,20,21,22)/t19-/m0/s1.

What are the key properties of (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

(5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 370.46 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-(cyclobutylmethyl)-2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 98264452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).