2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C12H17F3N4O — CID 102875854

IUPAC2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESNNc1cc(C(F)(F)F)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-6-10(18-16)17-11(7-8)19(4-5-20)9-2-1-3-9/h6-7,9,20H,1-5,16H2,(H,17,18)
InChIKeyBDSBMTIWDBAJMH-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.74
Rot. Bonds5

About 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 102875854) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID102875854
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESNNc1cc(C(F)(F)F)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-6-10(18-16)17-11(7-8)19(4-5-20)9-2-1-3-9/h6-7,9,20H,1-5,16H2,(H,17,18)
InChIKeyBDSBMTIWDBAJMH-UHFFFAOYSA-N
XLogP1.74
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 102718042
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[cyclobutyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 102875838
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]ethanol
CID 102718030
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80964712
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720506

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 102875854) is 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is NNc1cc(C(F)(F)F)cc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is BDSBMTIWDBAJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-6-10(18-16)17-11(7-8)19(4-5-20)9-2-1-3-9/h6-7,9,20H,1-5,16H2,(H,17,18).
What are the key properties of 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 290.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 102875854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).