[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine

C15H22FN5 — CID 105211592

IUPAC[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCc1ccc(F)cc1C(Cc1ncnn1CC(C)C)NN
InChIInChI=1S/C15H22FN5/c1-10(2)8-21-15(18-9-19-21)7-14(20-17)13-6-12(16)5-4-11(13)3/h4-6,9-10,14,20H,7-8,17H2,1-3H3
InChIKeyQXZFKHLRZXZDQY-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.13
Rot. Bonds6

About [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine

[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (PubChem CID 105211592) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
PubChem CID105211592
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC Name[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCc1ccc(F)cc1C(Cc1ncnn1CC(C)C)NN
InChIInChI=1S/C15H22FN5/c1-10(2)8-21-15(18-9-19-21)7-14(20-17)13-6-12(16)5-4-11(13)3/h4-6,9-10,14,20H,7-8,17H2,1-3H3
InChIKeyQXZFKHLRZXZDQY-UHFFFAOYSA-N
XLogP2.13
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
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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Related Compounds

4-fluoro-2-[1-hydrazinyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 105263199
[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211662
[1-(2,5-difluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105219430
1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 82685783
[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317685
5-[(5-fluoro-2-methylphenoxy)methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 102975462
[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrimidin-4-yl)ethyl]hydrazine
CID 105260503
[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317711
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105317661
1,2-bis(5-fluoro-2-methylphenyl)ethylhydrazine
CID 105377773
[1-(5-fluoro-2-methylphenyl)-4-methylpentyl]hydrazine
CID 105207462

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The IUPAC name of [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (CID 105211592) is [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is Cc1ccc(F)cc1C(Cc1ncnn1CC(C)C)NN.
What is the InChIKey of [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The InChIKey is QXZFKHLRZXZDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5/c1-10(2)8-21-15(18-9-19-21)7-14(20-17)13-6-12(16)5-4-11(13)3/h4-6,9-10,14,20H,7-8,17H2,1-3H3.
What are the key properties of [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine has a molecular weight of 291.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is sourced from PubChem (CID 105211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).