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

C9H14F2N4O — CID 107478420

IUPAC2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1ccnnc1N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(3-4-16)9-7(5-12)1-2-13-14-9/h1-2,8,16H,3-6,12H2
InChIKeyOFWHGLFSVZNTQG-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.00
Rot. Bonds6

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

2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478420) has the molecular formula C9H14F2N4O and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478420
Molecular FormulaC9H14F2N4O
Molecular Weight232.23 g/mol
Exact Mass232.11
IUPAC Name2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1ccnnc1N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N4O/c10-8(11)6-15(3-4-16)9-7(5-12)1-2-13-14-9/h1-2,8,16H,3-6,12H2
InChIKeyOFWHGLFSVZNTQG-UHFFFAOYSA-N
XLogP-0.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.00
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-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107478420) is 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol is NCc1ccnnc1N(CCO)CC(F)F.
What is the InChIKey of 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is OFWHGLFSVZNTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4O/c10-8(11)6-15(3-4-16)9-7(5-12)1-2-13-14-9/h1-2,8,16H,3-6,12H2.
What are the key properties of 2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[4-(aminomethyl)pyridazin-3-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 232.23 g/mol, XLogP of -0.00, 6 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-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).