2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride

C20H23ClN8O — CID 156699225

About 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride

2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride (PubChem CID 156699225) has the molecular formula C20H23ClN8O and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride
• PubChem CID: 156699225
• Molecular Formula: C20H23ClN8O
• Molecular Weight: 426.91 g/mol
• Exact Mass: 426.17
• IUPAC Name: 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride
• SMILES: CC1(C)CC(n2nnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CCN1.Cl
• InChI: InChI=1S/C20H22N8O.ClH/c1-20(2)9-14(5-6-21-20)28-19-17(25-27-28)8-16(24-26-19)15-4-3-12(7-18(15)29)13-10-22-23-11-13;/h3-4,7-8,10-11,14,21,29H,5-6,9H2,1-2H3,(H,22,23);1H
• InChIKey: ZINLUEAGBKPQMV-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 117.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.91
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride?

The IUPAC name of 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride (CID 156699225) is 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride.

What is the SMILES notation for 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride?

The canonical SMILES for 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride is CC1(C)CC(n2nnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CCN1.Cl.

What is the InChIKey of 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride?

The InChIKey is ZINLUEAGBKPQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O.ClH/c1-20(2)9-14(5-6-21-20)28-19-17(25-27-28)8-16(24-26-19)15-4-3-12(7-18(15)29)13-10-22-23-11-13;/h3-4,7-8,10-11,14,21,29H,5-6,9H2,1-2H3,(H,22,23);1H.

What are the key properties of 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride?

2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride has a molecular weight of 426.91 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,2-dimethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;hydrochloride is sourced from PubChem (CID 156699225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).