2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C20H28N6O2 — CID 70775277

About 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70775277) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70775277
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1nc2nc(CN3CCC4(CCC(=O)N(CC5CC5)C4)CC3)cc(=O)n2[nH]1
• InChI: InChI=1S/C20H28N6O2/c1-14-21-19-22-16(10-18(28)26(19)23-14)12-24-8-6-20(7-9-24)5-4-17(27)25(13-20)11-15-2-3-15/h10,15H,2-9,11-13H2,1H3,(H,21,22,23)
• InChIKey: DKZITZQXTTUZPU-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 86.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70775277) is 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nc2nc(CN3CCC4(CCC(=O)N(CC5CC5)C4)CC3)cc(=O)n2[nH]1.

What is the InChIKey of 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is DKZITZQXTTUZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14-21-19-22-16(10-18(28)26(19)23-14)12-24-8-6-20(7-9-24)5-4-17(27)25(13-20)11-15-2-3-15/h10,15H,2-9,11-13H2,1H3,(H,21,22,23).

What are the key properties of 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?

2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethyl)-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70775277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).