N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide

C15H15F8N5O2S — CID 146270671

IUPACN'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide
SMILESCCC(=O)NNC(O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(S(F)(F)(F)(F)F)c2)n1
InChIInChI=1S/C15H15F8N5O2S/c1-2-12(29)25-26-13(30)3-4-28-8-24-14(27-28)9-5-10(15(16,17)18)7-11(6-9)31(19,20,21,22)23/h3-8,13,26,30H,2H2,1H3,(H,25,29)/b4-3-
InChIKeyMMJKPLPRTAEAQB-ARJAWSKDSA-N
MW481.37 g/mol
LogP4.44
Rot. Bonds7

About N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide

N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide (PubChem CID 146270671) has the molecular formula C15H15F8N5O2S and a molecular weight of 481.37 g/mol. Its IUPAC name is N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide.

Molecular Properties

Compound NameN'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide
PubChem CID146270671
Molecular FormulaC15H15F8N5O2S
Molecular Weight481.37 g/mol
Exact Mass481.08
IUPAC NameN'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide
SMILESCCC(=O)NNC(O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(S(F)(F)(F)(F)F)c2)n1
InChIInChI=1S/C15H15F8N5O2S/c1-2-12(29)25-26-13(30)3-4-28-8-24-14(27-28)9-5-10(15(16,17)18)7-11(6-9)31(19,20,21,22)23/h3-8,13,26,30H,2H2,1H3,(H,25,29)/b4-3-
InChIKeyMMJKPLPRTAEAQB-ARJAWSKDSA-N
XLogP4.44
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide?
The IUPAC name of N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide (CID 146270671) is N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide.
What is the SMILES notation for N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide?
The canonical SMILES for N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide is CCC(=O)NNC(O)/C=C\n1cnc(-c2cc(C(F)(F)F)cc(S(F)(F)(F)(F)F)c2)n1.
What is the InChIKey of N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide?
The InChIKey is MMJKPLPRTAEAQB-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H15F8N5O2S/c1-2-12(29)25-26-13(30)3-4-28-8-24-14(27-28)9-5-10(15(16,17)18)7-11(6-9)31(19,20,21,22)23/h3-8,13,26,30H,2H2,1H3,(H,25,29)/b4-3-.
What are the key properties of N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide?
N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide has a molecular weight of 481.37 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-hydroxy-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enyl]propanehydrazide is sourced from PubChem (CID 146270671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).