3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine

C7H12F3N5S — CID 80614295

IUPAC3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1nnc(NN)s1
InChIInChI=1S/C7H12F3N5S/c1-15(3-2-7(8,9)10)4-5-13-14-6(12-11)16-5/h2-4,11H2,1H3,(H,12,14)
InChIKeyMMPSGCNGTWVSCW-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.21
Rot. Bonds5

About 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine

3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine (PubChem CID 80614295) has the molecular formula C7H12F3N5S and a molecular weight of 255.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
PubChem CID80614295
Molecular FormulaC7H12F3N5S
Molecular Weight255.27 g/mol
Exact Mass255.08
IUPAC Name3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1nnc(NN)s1
InChIInChI=1S/C7H12F3N5S/c1-15(3-2-7(8,9)10)4-5-13-14-6(12-11)16-5/h2-4,11H2,1H3,(H,12,14)
InChIKeyMMPSGCNGTWVSCW-UHFFFAOYSA-N
XLogP1.21
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine (CID 80614295) is 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1nnc(NN)s1.
What is the InChIKey of 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is MMPSGCNGTWVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5S/c1-15(3-2-7(8,9)10)4-5-13-14-6(12-11)16-5/h2-4,11H2,1H3,(H,12,14).
What are the key properties of 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine?
3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine has a molecular weight of 255.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 80614295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).