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

C10H10F3N5O — CID 105230561

IUPAC[1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
SMILESNNC(c1ncn[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)19-7-4-2-1-3-6(7)8(17-14)9-15-5-16-18-9/h1-5,8,17H,14H2,(H,15,16,18)
InChIKeyHCEQGQANDPSHFO-UHFFFAOYSA-N
MW273.22 g/mol
LogP1.26
Rot. Bonds4

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

[1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine (PubChem CID 105230561) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
PubChem CID105230561
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name[1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
SMILESNNC(c1ncn[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)19-7-4-2-1-3-6(7)8(17-14)9-15-5-16-18-9/h1-5,8,17H,14H2,(H,15,16,18)
InChIKeyHCEQGQANDPSHFO-UHFFFAOYSA-N
XLogP1.26
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 51.26
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

[(2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230315
[quinolin-8-yl(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230361
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105301447
[(2,5-dimethylfuran-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105301429
[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105301473
[(2-ethoxyphenyl)-(1H-imidazol-2-yl)methyl]hydrazine
CID 105252010
[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 114222154
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408
[1H-imidazol-2-yl-(2-propoxyphenyl)methyl]hydrazine
CID 105252074
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520

Frequently Asked Questions

What is the IUPAC name of [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The IUPAC name of [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine (CID 105230561) is [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine.
What is the SMILES notation for [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The canonical SMILES for [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine is NNC(c1ncn[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The InChIKey is HCEQGQANDPSHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)19-7-4-2-1-3-6(7)8(17-14)9-15-5-16-18-9/h1-5,8,17H,14H2,(H,15,16,18).
What are the key properties of [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
[1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine has a molecular weight of 273.22 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine is sourced from PubChem (CID 105230561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).