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

C13H21F3N4O — CID 107478491

IUPAC2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nnc(N(CCO)CC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C13H21F3N4O/c1-3-9-10(7-17)12(19-18-11(9)4-2)20(5-6-21)8-13(14,15)16/h21H,3-8,17H2,1-2H3
InChIKeyXWARKQMRTXNOPW-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.42
Rot. Bonds7

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

2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478491) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478491
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCc1nnc(N(CCO)CC(F)(F)F)c(CN)c1CC
InChIInChI=1S/C13H21F3N4O/c1-3-9-10(7-17)12(19-18-11(9)4-2)20(5-6-21)8-13(14,15)16/h21H,3-8,17H2,1-2H3
InChIKeyXWARKQMRTXNOPW-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.42
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-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478491) is 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCc1nnc(N(CCO)CC(F)(F)F)c(CN)c1CC.
What is the InChIKey of 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is XWARKQMRTXNOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-3-9-10(7-17)12(19-18-11(9)4-2)20(5-6-21)8-13(14,15)16/h21H,3-8,17H2,1-2H3.
What are the key properties of 2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 306.33 g/mol, XLogP of 1.42, 7 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-diethylpyridazin-3-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).