1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

C9H8F3N5OS — CID 81318593

IUPAC1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C9H8F3N5OS/c10-9(11,12)5-2-1-3-7(18)17(5)4-6-15-16-8(14-13)19-6/h1-3H,4,13H2,(H,14,16)
InChIKeyLDPCOYPJTQRHFG-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.05
Rot. Bonds3

About 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318593) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318593
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESNNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1
InChIInChI=1S/C9H8F3N5OS/c10-9(11,12)5-2-1-3-7(18)17(5)4-6-15-16-8(14-13)19-6/h1-3H,4,13H2,(H,14,16)
InChIKeyLDPCOYPJTQRHFG-UHFFFAOYSA-N
XLogP1.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318593) is 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is NNc1nnc(Cn2c(C(F)(F)F)cccc2=O)s1.
What is the InChIKey of 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is LDPCOYPJTQRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c10-9(11,12)5-2-1-3-7(18)17(5)4-6-15-16-8(14-13)19-6/h1-3H,4,13H2,(H,14,16).
What are the key properties of 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 291.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).