(3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide

C17H12N4S2 — CID 134997325

IUPAC(3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide
SMILESc1cc[n+]([N-]c2ncc(-c3cccs3)nc2-c2cccs2)cc1
InChIInChI=1S/C17H12N4S2/c1-2-8-21(9-3-1)20-17-16(15-7-5-11-23-15)19-13(12-18-17)14-6-4-10-22-14/h1-12H
InChIKeyZSTFZVJENFCHDK-UHFFFAOYSA-N
MW336.45 g/mol
LogP4.69
Rot. Bonds4

About (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide

(3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide (PubChem CID 134997325) has the molecular formula C17H12N4S2 and a molecular weight of 336.45 g/mol. Its IUPAC name is (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide.

Molecular Properties

Compound Name(3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide
PubChem CID134997325
Molecular FormulaC17H12N4S2
Molecular Weight336.45 g/mol
Exact Mass336.05
IUPAC Name(3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide
SMILESc1cc[n+]([N-]c2ncc(-c3cccs3)nc2-c2cccs2)cc1
InChIInChI=1S/C17H12N4S2/c1-2-8-21(9-3-1)20-17-16(15-7-5-11-23-15)19-13(12-18-17)14-6-4-10-22-14/h1-12H
InChIKeyZSTFZVJENFCHDK-UHFFFAOYSA-N
XLogP4.69
TPSA43.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 16194810
2-[(4-Phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
CID 2539904
3-Methylthiophene-2-carbaldehyde methyl(quinoxalin-2-yl)hydrazone
CID 9676936
US9096589, 5-Methyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250193
8-(4-Methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 54589205
3-(3-Pyridyl)-6-(2-thienyl) imidazo[1,2-b] pyridazine
CID 90480338
3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine
CID 86000949
5-(pyridin-3-yl)-3-(5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)pyrazin-2-amine
CID 59472065
3-(4-Pyridyl)-3-(2-thienyl)imidazo [1,2-b]pyridazine
CID 126672901
4-pyridin-2-yl-N-[(Z)-1-thiophen-2-ylethylideneamino]piperazine-1-carbothioamide
CID 44410348
N-[(E)-thiophen-2-ylmethylideneamino]quinoxalin-2-amine
CID 156014344

Frequently Asked Questions

What is the IUPAC name of (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide?
The IUPAC name of (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide (CID 134997325) is (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide.
What is the SMILES notation for (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide?
The canonical SMILES for (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide is c1cc[n+]([N-]c2ncc(-c3cccs3)nc2-c2cccs2)cc1.
What is the InChIKey of (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide?
The InChIKey is ZSTFZVJENFCHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S2/c1-2-8-21(9-3-1)20-17-16(15-7-5-11-23-15)19-13(12-18-17)14-6-4-10-22-14/h1-12H.
What are the key properties of (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide?
(3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide has a molecular weight of 336.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dithiophen-2-ylpyrazin-2-yl)-pyridin-1-ium-1-ylazanide is sourced from PubChem (CID 134997325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).