[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine

C13H15F3N4 — CID 105340372

IUPAC[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N4/c1-20-5-4-18-12(20)3-2-11(19-17)13-9(15)6-8(14)7-10(13)16/h4-7,11,19H,2-3,17H2,1H3
InChIKeyCCCKPSOKQMLWSS-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.97
Rot. Bonds5

About [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine

[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine (PubChem CID 105340372) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
PubChem CID105340372
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine
SMILESCn1ccnc1CCC(NN)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N4/c1-20-5-4-18-12(20)3-2-11(19-17)13-9(15)6-8(14)7-10(13)16/h4-7,11,19H,2-3,17H2,1H3
InChIKeyCCCKPSOKQMLWSS-UHFFFAOYSA-N
XLogP1.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.97
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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Related Compounds

[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105322975
[1-(2-fluoro-6-methoxyphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105252516
N-[2-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 105011526
[1-(2-bromo-3-fluorophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340312
1-(4-bromo-2,6-difluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837980
[1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340417
[3-(1-methylimidazol-2-yl)-1-(5-methylpyrimidin-2-yl)propyl]hydrazine
CID 105261604
[3-(1-methylimidazol-2-yl)-1-(4-methylphenyl)propyl]hydrazine
CID 105194412
4-[1-hydrazinyl-3-(1-methylimidazol-2-yl)propyl]-1-methylpyrazol-5-amine
CID 105230895
[1-(4-iodophenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340426
[1-(5-bromothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340409
[3-(1-methylimidazol-2-yl)-1-(3-methylphenyl)propyl]hydrazine
CID 105200793

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine?
The IUPAC name of [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine (CID 105340372) is [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine.
What is the SMILES notation for [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine?
The canonical SMILES for [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine is Cn1ccnc1CCC(NN)c1c(F)cc(F)cc1F.
What is the InChIKey of [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine?
The InChIKey is CCCKPSOKQMLWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-20-5-4-18-12(20)3-2-11(19-17)13-9(15)6-8(14)7-10(13)16/h4-7,11,19H,2-3,17H2,1H3.
What are the key properties of [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine?
[3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine has a molecular weight of 284.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylimidazol-2-yl)-1-(2,4,6-trifluorophenyl)propyl]hydrazine is sourced from PubChem (CID 105340372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).