[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine

C14H18F3N3 — CID 106650233

IUPAC[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)11-7-8-12(19-9-11)13(20-18)10-5-3-1-2-4-6-10/h5,7-9,13,20H,1-4,6,18H2
InChIKeyZAOROCJOQOIJEC-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.50
Rot. Bonds3

About [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine

[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine (PubChem CID 106650233) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
PubChem CID106650233
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
SMILESNNC(C1=CCCCCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H18F3N3/c15-14(16,17)11-7-8-12(19-9-11)13(20-18)10-5-3-1-2-4-6-10/h5,7-9,13,20H,1-4,6,18H2
InChIKeyZAOROCJOQOIJEC-UHFFFAOYSA-N
XLogP3.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclohexen-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106657274
[(5-chloro-2-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649316
[cycloocten-1-yl(2H-triazol-4-yl)methyl]hydrazine
CID 106649357
[pyridin-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105287046
[cyclohexen-1-yl(1,3-thiazol-4-yl)methyl]hydrazine
CID 106649352
[(4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105286222
[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 106648892
[2-cyclopentyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105299053
[2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]hydrazine
CID 105311054
[(2-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105285707
[(5-fluoro-2-methylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 105302169
bis[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 170433737

Frequently Asked Questions

What is the IUPAC name of [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The IUPAC name of [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine (CID 106650233) is [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The canonical SMILES for [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine is NNC(C1=CCCCCC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
The InChIKey is ZAOROCJOQOIJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c15-14(16,17)11-7-8-12(19-9-11)13(20-18)10-5-3-1-2-4-6-10/h5,7-9,13,20H,1-4,6,18H2.
What are the key properties of [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine?
[cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine has a molecular weight of 285.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohepten-1-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 106650233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).