[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol

C17H19N5O — CID 47060288

IUPAC[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccc3nnc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C17H19N5O/c23-12-13-5-4-10-21(11-13)16-9-8-15-18-19-17(22(15)20-16)14-6-2-1-3-7-14/h1-3,6-9,13,23H,4-5,10-12H2
InChIKeyVGMLHRCNZKVXFD-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.00
Rot. Bonds3

About [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol

[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol (PubChem CID 47060288) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
PubChem CID47060288
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccc3nnc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C17H19N5O/c23-12-13-5-4-10-21(11-13)16-9-8-15-18-19-17(22(15)20-16)14-6-2-1-3-7-14/h1-3,6-9,13,23H,4-5,10-12H2
InChIKeyVGMLHRCNZKVXFD-UHFFFAOYSA-N
XLogP2.00
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol (CID 47060288) is [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol is OCC1CCCN(c2ccc3nnc(-c4ccccc4)n3n2)C1.
What is the InChIKey of [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol?
The InChIKey is VGMLHRCNZKVXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-12-13-5-4-10-21(11-13)16-9-8-15-18-19-17(22(15)20-16)14-6-2-1-3-7-14/h1-3,6-9,13,23H,4-5,10-12H2.
What are the key properties of [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol?
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol has a molecular weight of 309.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 47060288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).