[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine

C10H8F3N5 — CID 3053054

IUPAC[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)7-3-1-2-6(4-7)8-5-15-18-9(16-8)17-14/h1-5H,14H2,(H,16,17,18)
InChIKeyKDEAMNZLDHHLDO-UHFFFAOYSA-N
MW255.20 g/mol
LogP1.84
Rot. Bonds2

About [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine

[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine (PubChem CID 3053054) has the molecular formula C10H8F3N5 and a molecular weight of 255.20 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine
PubChem CID3053054
Molecular FormulaC10H8F3N5
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nncc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H8F3N5/c11-10(12,13)7-3-1-2-6(4-7)8-5-15-18-9(16-8)17-14/h1-5H,14H2,(H,16,17,18)
InChIKeyKDEAMNZLDHHLDO-UHFFFAOYSA-N
XLogP1.84
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine?
The IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine (CID 3053054) is [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine.
What is the SMILES notation for [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine?
The canonical SMILES for [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine is NNc1nncc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine?
The InChIKey is KDEAMNZLDHHLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5/c11-10(12,13)7-3-1-2-6(4-7)8-5-15-18-9(16-8)17-14/h1-5H,14H2,(H,16,17,18).
What are the key properties of [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine?
[5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine has a molecular weight of 255.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]hydrazine is sourced from PubChem (CID 3053054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).