2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C11H17F3N4O — CID 107478497

IUPAC2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nnc(N(CCO)CC(F)(F)F)c(CN)c1C
InChIInChI=1S/C11H17F3N4O/c1-7-8(2)16-17-10(9(7)5-15)18(3-4-19)6-11(12,13)14/h19H,3-6,15H2,1-2H3
InChIKeyZUBXWDJUPSSGGE-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.91
Rot. Bonds5

About 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478497) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478497
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nnc(N(CCO)CC(F)(F)F)c(CN)c1C
InChIInChI=1S/C11H17F3N4O/c1-7-8(2)16-17-10(9(7)5-15)18(3-4-19)6-11(12,13)14/h19H,3-6,15H2,1-2H3
InChIKeyZUBXWDJUPSSGGE-UHFFFAOYSA-N
XLogP0.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478497) is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nnc(N(CCO)CC(F)(F)F)c(CN)c1C.
What is the InChIKey of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is ZUBXWDJUPSSGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-7-8(2)16-17-10(9(7)5-15)18(3-4-19)6-11(12,13)14/h19H,3-6,15H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 278.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).