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

C11H18F2N4O — CID 107478451

IUPAC2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCc1nnc(N(CCO)CC(F)F)c(CN)c1C
InChIInChI=1S/C11H18F2N4O/c1-7-8(2)15-16-11(9(7)5-14)17(3-4-18)6-10(12)13/h10,18H,3-6,14H2,1-2H3
InChIKeyZOBXSEDBGWMDMQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.62
Rot. Bonds6

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

2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478451) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478451
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCc1nnc(N(CCO)CC(F)F)c(CN)c1C
InChIInChI=1S/C11H18F2N4O/c1-7-8(2)15-16-11(9(7)5-14)17(3-4-18)6-10(12)13/h10,18H,3-6,14H2,1-2H3
InChIKeyZOBXSEDBGWMDMQ-UHFFFAOYSA-N
XLogP0.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.62
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-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107478451) is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol is Cc1nnc(N(CCO)CC(F)F)c(CN)c1C.
What is the InChIKey of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is ZOBXSEDBGWMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-7-8(2)15-16-11(9(7)5-14)17(3-4-18)6-10(12)13/h10,18H,3-6,14H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 260.29 g/mol, XLogP of 0.62, 6 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).