[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine

C12H14F3N5 — CID 105337598

IUPAC[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCn1nncc1C(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C12H14F3N5/c1-20-11(7-17-19-20)10(18-16)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10,18H,6,16H2,1H3
InChIKeyMMXNZSNCEMUGQY-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.58
Rot. Bonds4

About [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105337598) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105337598
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCn1nncc1C(Cc1ccc(C(F)(F)F)cc1)NN
InChIInChI=1S/C12H14F3N5/c1-20-11(7-17-19-20)10(18-16)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10,18H,6,16H2,1H3
InChIKeyMMXNZSNCEMUGQY-UHFFFAOYSA-N
XLogP1.58
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.58
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-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115836029
[2-(4-bromophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105195498
[2-(3,5-difluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105206647
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
[2-(2-chloro-4-fluorophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105216120
[1-(6-chloro-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253088
[1-(2,5-dimethylfuran-3-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299682
[1-(5-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105251515
N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 115682218
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-phenylethyl]hydrazine
CID 102759408
N-[2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687476
1-(3-methyltriazol-4-yl)hexylhydrazine
CID 105337497

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105337598) is [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine is Cn1nncc1C(Cc1ccc(C(F)(F)F)cc1)NN.
What is the InChIKey of [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is MMXNZSNCEMUGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-20-11(7-17-19-20)10(18-16)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,7,10,18H,6,16H2,1H3.
What are the key properties of [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 285.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105337598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).