9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C19H29N7O — CID 70718836

About 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one

9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70718836) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70718836
• Molecular Formula: C19H29N7O
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.24
• IUPAC Name: 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CCn1cnnc1CN1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1
• InChI: InChI=1S/C19H29N7O/c1-2-25-15-22-23-17(25)12-24-9-6-19(7-10-24)5-3-18(27)26(13-19)8-4-16-11-20-14-21-16/h11,14-15H,2-10,12-13H2,1H3,(H,20,21)
• InChIKey: MOUWBQOKQJVRSS-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 82.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70718836) is 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is CCn1cnnc1CN1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1.

What is the InChIKey of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is MOUWBQOKQJVRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-2-25-15-22-23-17(25)12-24-9-6-19(7-10-24)5-3-18(27)26(13-19)8-4-16-11-20-14-21-16/h11,14-15H,2-10,12-13H2,1H3,(H,20,21).

What are the key properties of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one?

9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.49 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70718836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).