(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

C12H9N5OS — CID 171980105

IUPAC(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C12H9N5OS/c1-2-6-13-11(3-1)19-12-5-4-10(18-12)7-16-17-8-14-15-9-17/h1-9H/b16-7+
InChIKeyVYULYCXZXRVFBC-FRKPEAEDSA-N
MW271.31 g/mol
LogP2.30
Rot. Bonds4

About (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 171980105) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID171980105
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N/n1cnnc1)\c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C12H9N5OS/c1-2-6-13-11(3-1)19-12-5-4-10(18-12)7-16-17-8-14-15-9-17/h1-9H/b16-7+
InChIKeyVYULYCXZXRVFBC-FRKPEAEDSA-N
XLogP2.30
TPSA69.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine (CID 171980105) is (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N/n1cnnc1)\c1ccc(Sc2ccccn2)o1.
What is the InChIKey of (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is VYULYCXZXRVFBC-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H9N5OS/c1-2-6-13-11(3-1)19-12-5-4-10(18-12)7-16-17-8-14-15-9-17/h1-9H/b16-7+.
What are the key properties of (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine?
(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 271.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 171980105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).