2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one

C8H4ClF3N4OS — CID 71967605

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1Cc1nnsc1Cl
InChIInChI=1S/C8H4ClF3N4OS/c9-7-4(13-15-18-7)3-16-6(17)2-1-5(14-16)8(10,11)12/h1-2H,3H2
InChIKeyZLTBCABYKPBKAE-UHFFFAOYSA-N
MW296.66 g/mol
LogP1.82
Rot. Bonds2

About 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one

2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 71967605) has the molecular formula C8H4ClF3N4OS and a molecular weight of 296.66 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID71967605
Molecular FormulaC8H4ClF3N4OS
Molecular Weight296.66 g/mol
Exact Mass295.97
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1Cc1nnsc1Cl
InChIInChI=1S/C8H4ClF3N4OS/c9-7-4(13-15-18-7)3-16-6(17)2-1-5(14-16)8(10,11)12/h1-2H,3H2
InChIKeyZLTBCABYKPBKAE-UHFFFAOYSA-N
XLogP1.82
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.66
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-Chlorothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 55027503
1-[(5-Chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319401
6-Tert-butyl-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
CID 53610619
2-[(5-Chlorothiadiazol-4-yl)methyl]pyridazin-3-one
CID 62849424
2-[(5-Chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one
CID 62923892

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one (CID 71967605) is 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is ZLTBCABYKPBKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4OS/c9-7-4(13-15-18-7)3-16-6(17)2-1-5(14-16)8(10,11)12/h1-2H,3H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 296.66 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 71967605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).