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

C16H18N6O — CID 168896538

IUPAC2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
SMILESNc1nn(C2CCCNC2)c2cc(-c3ccccc3O)nnc12
InChIInChI=1S/C16H18N6O/c17-16-15-13(22(21-16)10-4-3-7-18-9-10)8-12(19-20-15)11-5-1-2-6-14(11)23/h1-2,5-6,8,10,18,23H,3-4,7,9H2,(H2,17,21)
InChIKeyQPXWNSAXSIFVCE-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.71
Rot. Bonds2

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

2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol (PubChem CID 168896538) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol.

Molecular Properties

Compound Name2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
PubChem CID168896538
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
SMILESNc1nn(C2CCCNC2)c2cc(-c3ccccc3O)nnc12
InChIInChI=1S/C16H18N6O/c17-16-15-13(22(21-16)10-4-3-7-18-9-10)8-12(19-20-15)11-5-1-2-6-14(11)23/h1-2,5-6,8,10,18,23H,3-4,7,9H2,(H2,17,21)
InChIKeyQPXWNSAXSIFVCE-UHFFFAOYSA-N
XLogP1.71
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 170180644
2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 168896440
2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 168896307
12-[4-[3-amino-6-(2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]dodecanoic acid
CID 168896409
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686981
2-[5-(azetidin-3-yl)-7-(difluoromethyl)pyrrolo[3,2-c]pyridazin-3-yl]phenol
CID 170334226
2-[3-amino-1-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]-6-fluorophenol
CID 168896395
2-[5-cyclopropyl-6-[(3R)-pyrrolidin-3-yl]pyrrolo[3,2-c]pyridazin-3-yl]phenol
CID 170334172
3-amino-5-(5-benzyl-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
CID 11234243
2-[3-[8-[4-[3-amino-6-(2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]octoxy]-1,2-oxazol-5-yl]-3-methylbutanoic acid
CID 168896646
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
methyl 2-[3-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 168896448

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol?
The IUPAC name of 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol (CID 168896538) is 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol.
What is the SMILES notation for 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol?
The canonical SMILES for 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol is Nc1nn(C2CCCNC2)c2cc(-c3ccccc3O)nnc12.
What is the InChIKey of 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol?
The InChIKey is QPXWNSAXSIFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c17-16-15-13(22(21-16)10-4-3-7-18-9-10)8-12(19-20-15)11-5-1-2-6-14(11)23/h1-2,5-6,8,10,18,23H,3-4,7,9H2,(H2,17,21).
What are the key properties of 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol?
2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol has a molecular weight of 310.36 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol is sourced from PubChem (CID 168896538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).