5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride

C20H24ClN7O — CID 139536861

About 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride

5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride (PubChem CID 139536861) has the molecular formula C20H24ClN7O and a molecular weight of 413.91 g/mol. Its IUPAC name is 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride.

Molecular Properties

• Compound Name: 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride
• PubChem CID: 139536861
• Molecular Formula: C20H24ClN7O
• Molecular Weight: 413.91 g/mol
• Exact Mass: 413.17
• IUPAC Name: 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride
• SMILES: CN1CCC2(CC1)CN(c1ncc(-c3ccc(-n4ccnc4)cc3O)nn1)C2.Cl
• InChI: InChI=1S/C20H23N7O.ClH/c1-25-7-4-20(5-8-25)12-27(13-20)19-22-11-17(23-24-19)16-3-2-15(10-18(16)28)26-9-6-21-14-26;/h2-3,6,9-11,14,28H,4-5,7-8,12-13H2,1H3;1H
• InChIKey: YDVSKDOBESBAQN-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 83.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.91
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride?

The IUPAC name of 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride (CID 139536861) is 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride.

What is the SMILES notation for 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride?

The canonical SMILES for 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride is CN1CCC2(CC1)CN(c1ncc(-c3ccc(-n4ccnc4)cc3O)nn1)C2.Cl.

What is the InChIKey of 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride?

The InChIKey is YDVSKDOBESBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O.ClH/c1-25-7-4-20(5-8-25)12-27(13-20)19-22-11-17(23-24-19)16-3-2-15(10-18(16)28)26-9-6-21-14-26;/h2-3,6,9-11,14,28H,4-5,7-8,12-13H2,1H3;1H.

What are the key properties of 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride?

5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride has a molecular weight of 413.91 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride is sourced from PubChem (CID 139536861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).