2-[(3-aminopyridazin-4-yl)methylamino]ethanol

C7H12N4O — CID 165405966

IUPAC2-[(3-aminopyridazin-4-yl)methylamino]ethanol
SMILESNc1nnccc1CNCCO
InChIInChI=1S/C7H12N4O/c8-7-6(1-2-10-11-7)5-9-3-4-12/h1-2,9,12H,3-5H2,(H2,8,11)
InChIKeyQAHRPPUULUTVRC-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.86
Rot. Bonds4

About 2-[(3-aminopyridazin-4-yl)methylamino]ethanol

2-[(3-aminopyridazin-4-yl)methylamino]ethanol (PubChem CID 165405966) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-[(3-aminopyridazin-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-aminopyridazin-4-yl)methylamino]ethanol
PubChem CID165405966
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-[(3-aminopyridazin-4-yl)methylamino]ethanol
SMILESNc1nnccc1CNCCO
InChIInChI=1S/C7H12N4O/c8-7-6(1-2-10-11-7)5-9-3-4-12/h1-2,9,12H,3-5H2,(H2,8,11)
InChIKeyQAHRPPUULUTVRC-UHFFFAOYSA-N
XLogP-0.86
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyridazin-4-yl)methylamino]ethanol?
The IUPAC name of 2-[(3-aminopyridazin-4-yl)methylamino]ethanol (CID 165405966) is 2-[(3-aminopyridazin-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-aminopyridazin-4-yl)methylamino]ethanol?
The canonical SMILES for 2-[(3-aminopyridazin-4-yl)methylamino]ethanol is Nc1nnccc1CNCCO.
What is the InChIKey of 2-[(3-aminopyridazin-4-yl)methylamino]ethanol?
The InChIKey is QAHRPPUULUTVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-7-6(1-2-10-11-7)5-9-3-4-12/h1-2,9,12H,3-5H2,(H2,8,11).
What are the key properties of 2-[(3-aminopyridazin-4-yl)methylamino]ethanol?
2-[(3-aminopyridazin-4-yl)methylamino]ethanol has a molecular weight of 168.20 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyridazin-4-yl)methylamino]ethanol is sourced from PubChem (CID 165405966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).