[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine

C11H13F2N5 — CID 105206647

IUPAC[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1nncc1C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C11H13F2N5/c1-18-11(6-15-17-18)10(16-14)4-7-2-8(12)5-9(13)3-7/h2-3,5-6,10,16H,4,14H2,1H3
InChIKeyBOCOEKJBTRMHOI-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.84
Rot. Bonds4

About [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine

[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 105206647) has the molecular formula C11H13F2N5 and a molecular weight of 253.26 g/mol. Its IUPAC name is [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID105206647
Molecular FormulaC11H13F2N5
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1nncc1C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C11H13F2N5/c1-18-11(6-15-17-18)10(16-14)4-7-2-8(12)5-9(13)3-7/h2-3,5-6,10,16H,4,14H2,1H3
InChIKeyBOCOEKJBTRMHOI-UHFFFAOYSA-N
XLogP0.84
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.84
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-(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-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105216120
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497
1-(3-methyltriazol-4-yl)dodecylhydrazine
CID 105337498
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105206674
[1-(3-chloro-4-pyridinyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413071
[2-(3,5-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105413149
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687616

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine (CID 105206647) is [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine is Cn1nncc1C(Cc1cc(F)cc(F)c1)NN.
What is the InChIKey of [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is BOCOEKJBTRMHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5/c1-18-11(6-15-17-18)10(16-14)4-7-2-8(12)5-9(13)3-7/h2-3,5-6,10,16H,4,14H2,1H3.
What are the key properties of [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine?
[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 253.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105206647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).