[5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine

C12H17F3N4 — CID 141434576

IUPAC[5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine
SMILESC[C@H]1CCN([C@@H](c2ccc(NN)nc2)C(F)(F)F)C1
InChIInChI=1S/C12H17F3N4/c1-8-4-5-19(7-8)11(12(13,14)15)9-2-3-10(18-16)17-6-9/h2-3,6,8,11H,4-5,7,16H2,1H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyDFFVEQZSQGMMJY-KWQFWETISA-N
MW274.29 g/mol
LogP2.31
Rot. Bonds3

About [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine

[5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine (PubChem CID 141434576) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine
PubChem CID141434576
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name[5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine
SMILESC[C@H]1CCN([C@@H](c2ccc(NN)nc2)C(F)(F)F)C1
InChIInChI=1S/C12H17F3N4/c1-8-4-5-19(7-8)11(12(13,14)15)9-2-3-10(18-16)17-6-9/h2-3,6,8,11H,4-5,7,16H2,1H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyDFFVEQZSQGMMJY-KWQFWETISA-N
XLogP2.31
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine (CID 141434576) is [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine is C[C@H]1CCN([C@@H](c2ccc(NN)nc2)C(F)(F)F)C1.
What is the InChIKey of [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine?
The InChIKey is DFFVEQZSQGMMJY-KWQFWETISA-N. The full InChI is InChI=1S/C12H17F3N4/c1-8-4-5-19(7-8)11(12(13,14)15)9-2-3-10(18-16)17-6-9/h2-3,6,8,11H,4-5,7,16H2,1H3,(H,17,18)/t8-,11-/m0/s1.
What are the key properties of [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine?
[5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine has a molecular weight of 274.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 141434576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).