2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol

C12H18F3N3O — CID 103880439

IUPAC2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H18F3N3O/c1-3-11(4-2,8-19)7-16-10-6-5-9(17-18-10)12(13,14)15/h5-6,19H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyDFGHFDLXSCRUSN-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.71
Rot. Bonds6

About 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol

2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol (PubChem CID 103880439) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
PubChem CID103880439
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H18F3N3O/c1-3-11(4-2,8-19)7-16-10-6-5-9(17-18-10)12(13,14)15/h5-6,19H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyDFGHFDLXSCRUSN-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol
CID 106254988
2-(4-bromophenyl)-1-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
CID 133420290
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
CID 106142025
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
2,2-dimethyl-3-phenyl-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 133421830
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
2-ethyl-2-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]butan-1-ol
CID 113334685
N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350
2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 115875586

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol (CID 103880439) is 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol?
The InChIKey is DFGHFDLXSCRUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-11(4-2,8-19)7-16-10-6-5-9(17-18-10)12(13,14)15/h5-6,19H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol?
2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol is sourced from PubChem (CID 103880439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).