2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol

C17H20N6O — CID 170180644

IUPAC2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol
SMILESCN1CCCC(n2nc(N)c3nnc(-c4ccccc4O)cc32)C1
InChIInChI=1S/C17H20N6O/c1-22-8-4-5-11(10-22)23-14-9-13(12-6-2-3-7-15(12)24)19-20-16(14)17(18)21-23/h2-3,6-7,9,11,24H,4-5,8,10H2,1H3,(H2,18,21)
InChIKeyOSKVUCFNLQBWPU-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.05
Rot. Bonds2

About 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol

2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol (PubChem CID 170180644) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol
PubChem CID170180644
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol
SMILESCN1CCCC(n2nc(N)c3nnc(-c4ccccc4O)cc32)C1
InChIInChI=1S/C17H20N6O/c1-22-8-4-5-11(10-22)23-14-9-13(12-6-2-3-7-15(12)24)19-20-16(14)17(18)21-23/h2-3,6-7,9,11,24H,4-5,8,10H2,1H3,(H2,18,21)
InChIKeyOSKVUCFNLQBWPU-UHFFFAOYSA-N
XLogP2.05
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol?
The IUPAC name of 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol (CID 170180644) is 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol.
What is the SMILES notation for 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol?
The canonical SMILES for 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol is CN1CCCC(n2nc(N)c3nnc(-c4ccccc4O)cc32)C1.
What is the InChIKey of 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol?
The InChIKey is OSKVUCFNLQBWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-22-8-4-5-11(10-22)23-14-9-13(12-6-2-3-7-15(12)24)19-20-16(14)17(18)21-23/h2-3,6-7,9,11,24H,4-5,8,10H2,1H3,(H2,18,21).
What are the key properties of 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol?
2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol has a molecular weight of 324.39 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 170180644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).