(1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione

C12H10N4O2S2 — CID 40621139

IUPAC(1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
SMILESS=C1N[C@@H](c2ccco2)N2C(=S)N[C@@H](c3ccco3)N12
InChIInChI=1S/C12H10N4O2S2/c19-11-13-9(7-3-1-5-17-7)15-12(20)14-10(16(11)15)8-4-2-6-18-8/h1-6,9-10H,(H,13,19)(H,14,20)/t9-,10-/m1/s1
InChIKeyMVQUTNOUSMMRAW-NXEZZACHSA-N
MW306.37 g/mol
LogP1.87
Rot. Bonds2

About (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione

(1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione (PubChem CID 40621139) has the molecular formula C12H10N4O2S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione.

Molecular Properties

Compound Name(1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
PubChem CID40621139
Molecular FormulaC12H10N4O2S2
Molecular Weight306.37 g/mol
Exact Mass306.02
IUPAC Name(1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
SMILESS=C1N[C@@H](c2ccco2)N2C(=S)N[C@@H](c3ccco3)N12
InChIInChI=1S/C12H10N4O2S2/c19-11-13-9(7-3-1-5-17-7)15-12(20)14-10(16(11)15)8-4-2-6-18-8/h1-6,9-10H,(H,13,19)(H,14,20)/t9-,10-/m1/s1
InChIKeyMVQUTNOUSMMRAW-NXEZZACHSA-N
XLogP1.87
TPSA56.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione with MolForge

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Related Compounds

1-ethyl-2-(furan-2-yl)imidazolidin-4-one
CID 130626514
2-(furan-2-yl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 47117581
2-(furan-2-yl)-3-phenyl-2,4-dihydro-1H-quinazoline
CID 135070101
3-amino-4-(furan-2-yl)azetidin-2-one
CID 82417177
3-(furan-2-yl)-1,2-oxazolidine
CID 174175467
(3R)-3-(furan-2-yl)-1,2-oxazolidine
CID 166135335
(4R)-1-benzyl-4-(furan-2-yl)-3,4,5,6,7,8-hexahydroquinazoline-2-thione
CID 139115811
2-(furan-2-yl)-1-hydroxy-3,4-dihydro-2H-quinazoline
CID 86019392
(4S,5R)-1-cyclopentyl-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100522235
(3aR,7aR)-2-(furan-2-yl)-1,3-dihydroxy-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole
CID 1378893
4-diethoxyphosphoryl-5-(furan-2-yl)-1,3-oxazolidine-2-thione
CID 72820389
2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one
CID 12903734

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione?
The IUPAC name of (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione (CID 40621139) is (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione.
What is the SMILES notation for (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione?
The canonical SMILES for (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione is S=C1N[C@@H](c2ccco2)N2C(=S)N[C@@H](c3ccco3)N12.
What is the InChIKey of (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione?
The InChIKey is MVQUTNOUSMMRAW-NXEZZACHSA-N. The full InChI is InChI=1S/C12H10N4O2S2/c19-11-13-9(7-3-1-5-17-7)15-12(20)14-10(16(11)15)8-4-2-6-18-8/h1-6,9-10H,(H,13,19)(H,14,20)/t9-,10-/m1/s1.
What are the key properties of (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione?
(1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione has a molecular weight of 306.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1,5-bis(furan-2-yl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione is sourced from PubChem (CID 40621139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).