1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane

C19H24F3N3O2S — CID 144723775

IUPAC1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane
SMILESC/C=C(\NNC(F)(F)F)c1cc(CCc2scc3c2OCCO3)ccn1.CC
InChIInChI=1S/C17H18F3N3O2S.C2H6/c1-2-12(22-23-17(18,19)20)13-9-11(5-6-21-13)3-4-15-16-14(10-26-15)24-7-8-25-16;1-2/h2,5-6,9-10,22-23H,3-4,7-8H2,1H3;1-2H3/b12-2-;
InChIKeyIQQFZANQMVSEBA-QPBZENRTSA-N
MW415.48 g/mol
LogP4.70
Rot. Bonds6

About 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane

1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane (PubChem CID 144723775) has the molecular formula C19H24F3N3O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane.

Molecular Properties

Compound Name1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane
PubChem CID144723775
Molecular FormulaC19H24F3N3O2S
Molecular Weight415.48 g/mol
Exact Mass415.15
IUPAC Name1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane
SMILESC/C=C(\NNC(F)(F)F)c1cc(CCc2scc3c2OCCO3)ccn1.CC
InChIInChI=1S/C17H18F3N3O2S.C2H6/c1-2-12(22-23-17(18,19)20)13-9-11(5-6-21-13)3-4-15-16-14(10-26-15)24-7-8-25-16;1-2/h2,5-6,9-10,22-23H,3-4,7-8H2,1H3;1-2H3/b12-2-;
InChIKeyIQQFZANQMVSEBA-QPBZENRTSA-N
XLogP4.70
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane?
The IUPAC name of 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane (CID 144723775) is 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane.
What is the SMILES notation for 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane?
The canonical SMILES for 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane is C/C=C(\NNC(F)(F)F)c1cc(CCc2scc3c2OCCO3)ccn1.CC.
What is the InChIKey of 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane?
The InChIKey is IQQFZANQMVSEBA-QPBZENRTSA-N. The full InChI is InChI=1S/C17H18F3N3O2S.C2H6/c1-2-12(22-23-17(18,19)20)13-9-11(5-6-21-13)3-4-15-16-14(10-26-15)24-7-8-25-16;1-2/h2,5-6,9-10,22-23H,3-4,7-8H2,1H3;1-2H3/b12-2-;.
What are the key properties of 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane?
1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane has a molecular weight of 415.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-[4-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-2-pyridinyl]prop-1-enyl]-2-(trifluoromethyl)hydrazine;ethane is sourced from PubChem (CID 144723775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).