2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol

C15H23N3O — CID 74240226

IUPAC2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(/C=C/C2CCCCC2)nn1
InChIInChI=1S/C15H23N3O/c1-18(11-12-19)15-10-9-14(16-17-15)8-7-13-5-3-2-4-6-13/h7-10,13,19H,2-6,11-12H2,1H3/b8-7+
InChIKeyKXGJLRJKXOQFCU-BQYQJAHWSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds5

About 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol

2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol (PubChem CID 74240226) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol
PubChem CID74240226
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(/C=C/C2CCCCC2)nn1
InChIInChI=1S/C15H23N3O/c1-18(11-12-19)15-10-9-14(16-17-15)8-7-13-5-3-2-4-6-13/h7-10,13,19H,2-6,11-12H2,1H3/b8-7+
InChIKeyKXGJLRJKXOQFCU-BQYQJAHWSA-N
XLogP2.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol?
The IUPAC name of 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol (CID 74240226) is 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol is CN(CCO)c1ccc(/C=C/C2CCCCC2)nn1.
What is the InChIKey of 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol?
The InChIKey is KXGJLRJKXOQFCU-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(11-12-19)15-10-9-14(16-17-15)8-7-13-5-3-2-4-6-13/h7-10,13,19H,2-6,11-12H2,1H3/b8-7+.
What are the key properties of 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol?
2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(E)-2-cyclohexylethenyl]pyridazin-3-yl]-methylamino]ethanol is sourced from PubChem (CID 74240226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).