2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol

C11H17F3N6O — CID 114566945

IUPAC2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNNc1nc(N2CCN(CCO)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N6O/c12-11(13,14)8-7-9(17-10(16-8)18-15)20-3-1-19(2-4-20)5-6-21/h7,21H,1-6,15H2,(H,16,17,18)
InChIKeyNBQHOFYJUHBJTO-UHFFFAOYSA-N
MW306.29 g/mol
LogP-0.10
Rot. Bonds4

About 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 114566945) has the molecular formula C11H17F3N6O and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID114566945
Molecular FormulaC11H17F3N6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESNNc1nc(N2CCN(CCO)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H17F3N6O/c12-11(13,14)8-7-9(17-10(16-8)18-15)20-3-1-19(2-4-20)5-6-21/h7,21H,1-6,15H2,(H,16,17,18)
InChIKeyNBQHOFYJUHBJTO-UHFFFAOYSA-N
XLogP-0.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839962
[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567233
2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 102717512
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
2-[4-(2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226843
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450
4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-diazepan-2-one
CID 114567345
2-[4-(2-hydrazinylquinazolin-4-yl)piperazin-1-yl]ethanol
CID 80898065
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
CID 171701811
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 114566945) is 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol is NNc1nc(N2CCN(CCO)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is NBQHOFYJUHBJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N6O/c12-11(13,14)8-7-9(17-10(16-8)18-15)20-3-1-19(2-4-20)5-6-21/h7,21H,1-6,15H2,(H,16,17,18).
What are the key properties of 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 306.29 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 114566945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).