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

C14H20FN5 — CID 105211662

IUPAC[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCc1ccc(F)cc1C(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C14H20FN5/c1-9(2)20-14(17-8-18-20)7-13(19-16)12-6-11(15)5-4-10(12)3/h4-6,8-9,13,19H,7,16H2,1-3H3
InChIKeyBQDVAIJLYBMWKJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.05
Rot. Bonds5

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

[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105211662) has the molecular formula C14H20FN5 and a molecular weight of 277.35 g/mol. Its IUPAC name is [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105211662
Molecular FormulaC14H20FN5
Molecular Weight277.35 g/mol
Exact Mass277.17
IUPAC Name[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCc1ccc(F)cc1C(Cc1ncnn1C(C)C)NN
InChIInChI=1S/C14H20FN5/c1-9(2)20-14(17-8-18-20)7-13(19-16)12-6-11(15)5-4-10(12)3/h4-6,8-9,13,19H,7,16H2,1-3H3
InChIKeyBQDVAIJLYBMWKJ-UHFFFAOYSA-N
XLogP2.05
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.05
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

[1-(5-fluoro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105211592
[1-(4-fluoro-3-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105204160
[1-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233
[1-(2-ethylfuran-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 114104828
[1-(2,5-difluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105219430
1,2-bis(5-fluoro-2-methylphenyl)ethylhydrazine
CID 105377773
4-fluoro-2-[1-hydrazinyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 105263199
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
[1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317380
[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317416
[1-(5-methyl-3-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317393
[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105216212

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105211662) is [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is Cc1ccc(F)cc1C(Cc1ncnn1C(C)C)NN.
What is the InChIKey of [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is BQDVAIJLYBMWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5/c1-9(2)20-14(17-8-18-20)7-13(19-16)12-6-11(15)5-4-10(12)3/h4-6,8-9,13,19H,7,16H2,1-3H3.
What are the key properties of [1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 277.35 g/mol, XLogP of 2.05, 5 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-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105211662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).