5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol

C12H20F2N4O — CID 114150408

IUPAC5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1nc(NN)c(F)cc1F
InChIInChI=1S/C12H20F2N4O/c1-12(2,4-3-5-19)7-16-10-8(13)6-9(14)11(17-10)18-15/h6,19H,3-5,7,15H2,1-2H3,(H2,16,17,18)
InChIKeyIUEFKSKPYQYRSL-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.86
Rot. Bonds7

About 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol

5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 114150408) has the molecular formula C12H20F2N4O and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID114150408
Molecular FormulaC12H20F2N4O
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC Name5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1nc(NN)c(F)cc1F
InChIInChI=1S/C12H20F2N4O/c1-12(2,4-3-5-19)7-16-10-8(13)6-9(14)11(17-10)18-15/h6,19H,3-5,7,15H2,1-2H3,(H2,16,17,18)
InChIKeyIUEFKSKPYQYRSL-UHFFFAOYSA-N
XLogP1.86
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.86
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol (CID 114150408) is 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1nc(NN)c(F)cc1F.
What is the InChIKey of 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is IUEFKSKPYQYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c1-12(2,4-3-5-19)7-16-10-8(13)6-9(14)11(17-10)18-15/h6,19H,3-5,7,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 274.31 g/mol, XLogP of 1.86, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 114150408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).