[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine

C11H12F3N5O — CID 105230325

IUPAC[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(OC(F)(F)F)cc1)c1ncn[nH]1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)20-8-3-1-7(2-4-8)5-9(18-15)10-16-6-17-19-10/h1-4,6,9,18H,5,15H2,(H,16,17,19)
InChIKeyYUYVWGBATYOLMQ-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.45
Rot. Bonds5

About [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine

[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine (PubChem CID 105230325) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
PubChem CID105230325
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(OC(F)(F)F)cc1)c1ncn[nH]1
InChIInChI=1S/C11H12F3N5O/c12-11(13,14)20-8-3-1-7(2-4-8)5-9(18-15)10-16-6-17-19-10/h1-4,6,9,18H,5,15H2,(H,16,17,19)
InChIKeyYUYVWGBATYOLMQ-UHFFFAOYSA-N
XLogP1.45
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.45
H-Bond Donors ≤ 53
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

[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937
[1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105230561
[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296941
N-[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 65360362
[1H-1,2,4-triazol-5-yl-[4-(trifluoromethoxy)phenyl]methyl] methanesulfonate
CID 126651282
1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
CID 105269576
[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105270915
2-(4-bromophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362970
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230433
1H-1,2,4-triazole-5-carboxylic acid;[4-(trifluoromethoxy)phenyl]methanamine;N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 161038582

Frequently Asked Questions

What is the IUPAC name of [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine (CID 105230325) is [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine is NNC(Cc1ccc(OC(F)(F)F)cc1)c1ncn[nH]1.
What is the InChIKey of [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The InChIKey is YUYVWGBATYOLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c12-11(13,14)20-8-3-1-7(2-4-8)5-9(18-15)10-16-6-17-19-10/h1-4,6,9,18H,5,15H2,(H,16,17,19).
What are the key properties of [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine has a molecular weight of 287.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105230325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).