[4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine

C6H10F3N5 — CID 105230316

IUPAC[4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C6H10F3N5/c7-6(8,9)2-1-4(13-10)5-11-3-12-14-5/h3-4,13H,1-2,10H2,(H,11,12,14)
InChIKeyFDLBUMZIHFLDLX-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.65
Rot. Bonds4

About [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine (PubChem CID 105230316) has the molecular formula C6H10F3N5 and a molecular weight of 209.17 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
PubChem CID105230316
Molecular FormulaC6H10F3N5
Molecular Weight209.17 g/mol
Exact Mass209.09
IUPAC Name[4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1ncn[nH]1
InChIInChI=1S/C6H10F3N5/c7-6(8,9)2-1-4(13-10)5-11-3-12-14-5/h3-4,13H,1-2,10H2,(H,11,12,14)
InChIKeyFDLBUMZIHFLDLX-UHFFFAOYSA-N
XLogP0.65
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine (CID 105230316) is [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine is NNC(CCC(F)(F)F)c1ncn[nH]1.
What is the InChIKey of [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
The InChIKey is FDLBUMZIHFLDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5/c7-6(8,9)2-1-4(13-10)5-11-3-12-14-5/h3-4,13H,1-2,10H2,(H,11,12,14).
What are the key properties of [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine has a molecular weight of 209.17 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine is sourced from PubChem (CID 105230316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).