4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride

C23H27ClN8O2 — CID 156699230

IUPAC4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cc(=O)[nH]cn5)cc4O)nnc32)CC(C)(C)N1.Cl
InChIInChI=1S/C23H26N8O2.ClH/c1-22(2)10-14(11-23(3,4)29-22)31-21-18(27-30-31)8-17(26-28-21)15-6-5-13(7-19(15)32)16-9-20(33)25-12-24-16;/h5-9,12,14,29,32H,10-11H2,1-4H3,(H,24,25,33);1H
InChIKeySWWJWBILZUMMQJ-UHFFFAOYSA-N
MW482.98 g/mol
LogP3.25
Rot. Bonds3

About 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride

4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride (PubChem CID 156699230) has the molecular formula C23H27ClN8O2 and a molecular weight of 482.98 g/mol. Its IUPAC name is 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride
PubChem CID156699230
Molecular FormulaC23H27ClN8O2
Molecular Weight482.98 g/mol
Exact Mass482.19
IUPAC Name4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cc(=O)[nH]cn5)cc4O)nnc32)CC(C)(C)N1.Cl
InChIInChI=1S/C23H26N8O2.ClH/c1-22(2)10-14(11-23(3,4)29-22)31-21-18(27-30-31)8-17(26-28-21)15-6-5-13(7-19(15)32)16-9-20(33)25-12-24-16;/h5-9,12,14,29,32H,10-11H2,1-4H3,(H,24,25,33);1H
InChIKeySWWJWBILZUMMQJ-UHFFFAOYSA-N
XLogP3.25
TPSA134.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.98
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride (CID 156699230) is 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride is CC1(C)CC(n2nnc3cc(-c4ccc(-c5cc(=O)[nH]cn5)cc4O)nnc32)CC(C)(C)N1.Cl.
What is the InChIKey of 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is SWWJWBILZUMMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2.ClH/c1-22(2)10-14(11-23(3,4)29-22)31-21-18(27-30-31)8-17(26-28-21)15-6-5-13(7-19(15)32)16-9-20(33)25-12-24-16;/h5-9,12,14,29,32H,10-11H2,1-4H3,(H,24,25,33);1H.
What are the key properties of 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride?
4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 482.98 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-4-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenyl]-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 156699230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).