2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C9H13F3N4O — CID 107478463

IUPAC2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCc1ccnnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)6-16(3-4-17)8-7(5-13)1-2-14-15-8/h1-2,17H,3-6,13H2
InChIKeyILLWQEJUSRTZSQ-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.30
Rot. Bonds5

About 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478463) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478463
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNCc1ccnnc1N(CCO)CC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c10-9(11,12)6-16(3-4-17)8-7(5-13)1-2-14-15-8/h1-2,17H,3-6,13H2
InChIKeyILLWQEJUSRTZSQ-UHFFFAOYSA-N
XLogP0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478463) is 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol is NCc1ccnnc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ILLWQEJUSRTZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c10-9(11,12)6-16(3-4-17)8-7(5-13)1-2-14-15-8/h1-2,17H,3-6,13H2.
What are the key properties of 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 250.22 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).