[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C7H7F3N6S — CID 80613598

IUPAC[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C7H7F3N6S/c8-7(9,10)4-1-12-16(2-4)3-5-14-15-6(13-11)17-5/h1-2H,3,11H2,(H,13,15)
InChIKeyVBBIXNDINKPLIV-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.09
Rot. Bonds3

About [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80613598) has the molecular formula C7H7F3N6S and a molecular weight of 264.24 g/mol. Its IUPAC name is [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80613598
Molecular FormulaC7H7F3N6S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Name[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(Cn2cc(C(F)(F)F)cn2)s1
InChIInChI=1S/C7H7F3N6S/c8-7(9,10)4-1-12-16(2-4)3-5-14-15-6(13-11)17-5/h1-2H,3,11H2,(H,13,15)
InChIKeyVBBIXNDINKPLIV-UHFFFAOYSA-N
XLogP1.09
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

5-(1-methyl-1H-pyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 28742925
5-(difluoromethyl)-N-[(1-propylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 75506133
N-[(1-propylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505618
N-methyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608822
N-propyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608912
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608994
5-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608995
2-Chloro-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazole
CID 80610881
[5-[4-(Trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
CID 80624169
N-[2-(4-methylpyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104924207
5-(5-fluoro-1-methyl-1H-pyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 125725433
5-[1-(2-fluoroethyl)-1H-pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 125725513

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80613598) is [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(Cn2cc(C(F)(F)F)cn2)s1.
What is the InChIKey of [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is VBBIXNDINKPLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6S/c8-7(9,10)4-1-12-16(2-4)3-5-14-15-6(13-11)17-5/h1-2H,3,11H2,(H,13,15).
What are the key properties of [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 264.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80613598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).