[(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium

C25H30N7O2+ — CID 153382670

About [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium

[(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium (PubChem CID 153382670) has the molecular formula C25H30N7O2+ and a molecular weight of 460.56 g/mol. Its IUPAC name is [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium.

Molecular Properties

• Compound Name: [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium
• PubChem CID: 153382670
• Molecular Formula: C25H30N7O2+
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.25
• IUPAC Name: [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium
• SMILES: C#[N+]/C(=C\c1nnn(C2CC(C)(C)NC(C)(C)C2)c1C)c1ccc(-c2cc(=O)[nH]cn2)cc1O
• InChI: InChI=1S/C25H29N7O2/c1-15-19(29-31-32(15)17-12-24(2,3)30-25(4,5)13-17)10-21(26-6)18-8-7-16(9-22(18)33)20-11-23(34)28-14-27-20/h6-11,14,17,30H,12-13H2,1-5H3,(H-,27,28,33,34)/p+1/b21-10-
• InChIKey: KUZCCMONLGUVCC-FBHDLOMBSA-O
• XLogP: 3.98
• TPSA: 113.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium?

The IUPAC name of [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium (CID 153382670) is [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium.

What is the SMILES notation for [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium?

The canonical SMILES for [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium is C#[N+]/C(=C\c1nnn(C2CC(C)(C)NC(C)(C)C2)c1C)c1ccc(-c2cc(=O)[nH]cn2)cc1O.

What is the InChIKey of [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium?

The InChIKey is KUZCCMONLGUVCC-FBHDLOMBSA-O. The full InChI is InChI=1S/C25H29N7O2/c1-15-19(29-31-32(15)17-12-24(2,3)30-25(4,5)13-17)10-21(26-6)18-8-7-16(9-22(18)33)20-11-23(34)28-14-27-20/h6-11,14,17,30H,12-13H2,1-5H3,(H-,27,28,33,34)/p+1/b21-10-.

What are the key properties of [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium?

[(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium has a molecular weight of 460.56 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-1-[2-hydroxy-4-(6-oxo-1H-pyrimidin-4-yl)phenyl]-2-[5-methyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)triazol-4-yl]ethenyl]-methylidyneazanium is sourced from PubChem (CID 153382670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).