[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine

C11H13ClFN5 — CID 105216120

IUPAC[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1nncc1C(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C11H13ClFN5/c1-18-11(6-15-17-18)10(16-14)4-7-2-3-8(13)5-9(7)12/h2-3,5-6,10,16H,4,14H2,1H3
InChIKeySAJSETHKZXXVII-UHFFFAOYSA-N
MW269.71 g/mol
LogP1.35
Rot. Bonds4

About [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine

[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 105216120) has the molecular formula C11H13ClFN5 and a molecular weight of 269.71 g/mol. Its IUPAC name is [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID105216120
Molecular FormulaC11H13ClFN5
Molecular Weight269.71 g/mol
Exact Mass269.08
IUPAC Name[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1nncc1C(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C11H13ClFN5/c1-18-11(6-15-17-18)10(16-14)4-7-2-3-8(13)5-9(7)12/h2-3,5-6,10,16H,4,14H2,1H3
InChIKeySAJSETHKZXXVII-UHFFFAOYSA-N
XLogP1.35
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 51.35
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

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687616
[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105206647
[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105295191
[2-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105295206
[2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295166
[2-(2-chloro-4-fluorophenyl)-1-(furan-2-yl)ethyl]hydrazine
CID 105213440
[2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106786780
[2-(4-bromophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105195498
[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105337598
[2-(2,4-dichlorophenyl)-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105200119
[2-(2,4-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105200066
[2-(2-chloro-4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190734

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine (CID 105216120) is [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine is Cn1nncc1C(Cc1ccc(F)cc1Cl)NN.
What is the InChIKey of [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is SAJSETHKZXXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN5/c1-18-11(6-15-17-18)10(16-14)4-7-2-3-8(13)5-9(7)12/h2-3,5-6,10,16H,4,14H2,1H3.
What are the key properties of [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 269.71 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105216120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).