2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol

C8H14N4O2 — CID 2800215

IUPAC2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol
SMILESOCCNc1ccc(NCCO)nn1
InChIInChI=1S/C8H14N4O2/c13-5-3-9-7-1-2-8(12-11-7)10-4-6-14/h1-2,13-14H,3-6H2,(H,9,11)(H,10,12)
InChIKeyBHEHGXSQCODYBI-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.71
Rot. Bonds6

About 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol

2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol (PubChem CID 2800215) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol
PubChem CID2800215
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol
SMILESOCCNc1ccc(NCCO)nn1
InChIInChI=1S/C8H14N4O2/c13-5-3-9-7-1-2-8(12-11-7)10-4-6-14/h1-2,13-14H,3-6H2,(H,9,11)(H,10,12)
InChIKeyBHEHGXSQCODYBI-UHFFFAOYSA-N
XLogP-0.71
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol (CID 2800215) is 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol is OCCNc1ccc(NCCO)nn1.
What is the InChIKey of 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
The InChIKey is BHEHGXSQCODYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c13-5-3-9-7-1-2-8(12-11-7)10-4-6-14/h1-2,13-14H,3-6H2,(H,9,11)(H,10,12).
What are the key properties of 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol?
2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol has a molecular weight of 198.23 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-hydroxyethylamino)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 2800215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).