2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol

C16H19N5O — CID 166478069

IUPAC2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol
SMILESOc1ccccc1-c1cc2c(nn1)NCC1(CCNCC1)N2
InChIInChI=1S/C16H19N5O/c22-14-4-2-1-3-11(14)12-9-13-15(21-20-12)18-10-16(19-13)5-7-17-8-6-16/h1-4,9,17,19,22H,5-8,10H2,(H,18,21)
InChIKeyRDUSBPKBYNDZRZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.81
Rot. Bonds1

About 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol

2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol (PubChem CID 166478069) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol.

Molecular Properties

Compound Name2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol
PubChem CID166478069
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol
SMILESOc1ccccc1-c1cc2c(nn1)NCC1(CCNCC1)N2
InChIInChI=1S/C16H19N5O/c22-14-4-2-1-3-11(14)12-9-13-15(21-20-12)18-10-16(19-13)5-7-17-8-6-16/h1-4,9,17,19,22H,5-8,10H2,(H,18,21)
InChIKeyRDUSBPKBYNDZRZ-UHFFFAOYSA-N
XLogP1.81
TPSA82.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol?
The IUPAC name of 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol (CID 166478069) is 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol.
What is the SMILES notation for 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol?
The canonical SMILES for 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol is Oc1ccccc1-c1cc2c(nn1)NCC1(CCNCC1)N2.
What is the InChIKey of 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol?
The InChIKey is RDUSBPKBYNDZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-14-4-2-1-3-11(14)12-9-13-15(21-20-12)18-10-16(19-13)5-7-17-8-6-16/h1-4,9,17,19,22H,5-8,10H2,(H,18,21).
What are the key properties of 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol?
2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol has a molecular weight of 297.36 g/mol, XLogP of 1.81, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol is sourced from PubChem (CID 166478069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).