2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)

C24H24N12O5S4Y2-2 — CID 163635872

About 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)

2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium) (PubChem CID 163635872) has the molecular formula C24H24N12O5S4Y2-2 and a molecular weight of 866.61 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium).

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)
• PubChem CID: 163635872
• Molecular Formula: C24H24N12O5S4Y2-2
• Molecular Weight: 866.61 g/mol
• Exact Mass: 865.90
• IUPAC Name: 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)
• SMILES: CC(Sc1nc2[n-]ncc2c(=O)[nH]1)C(=O)O.Cc1nnc(C)s1.Cc1nnc(CC(=O)C(C)Sc2nc3[n-]ncc3c(=O)[nH]2)s1.[Y].[Y]
• InChI: InChI=1S/C12H12N6O2S2.C8H8N4O3S.C4H6N2S.2Y/c1-5(8(19)3-9-17-16-6(2)22-9)21-12-14-10-7(4-13-18-10)11(20)15-12;1-3(7(14)15)16-8-10-5-4(2-9-12-5)6(13)11-8;1-3-5-6-4(2)7-3;;/h4-5H,3H2,1-2H3,(H2,13,14,15,18,20);2-3H,1H3,(H3,9,10,11,12,13,14,15);1-2H3;;/p-2
• InChIKey: WUKILXREVFVDMN-UHFFFAOYSA-L
• XLogP: 1.72
• TPSA: 251.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.61
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)?

The IUPAC name of 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium) (CID 163635872) is 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium).

What is the SMILES notation for 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)?

The canonical SMILES for 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium) is CC(Sc1nc2[n-]ncc2c(=O)[nH]1)C(=O)O.Cc1nnc(C)s1.Cc1nnc(CC(=O)C(C)Sc2nc3[n-]ncc3c(=O)[nH]2)s1.[Y].[Y].

What is the InChIKey of 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)?

The InChIKey is WUKILXREVFVDMN-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H12N6O2S2.C8H8N4O3S.C4H6N2S.2Y/c1-5(8(19)3-9-17-16-6(2)22-9)21-12-14-10-7(4-13-18-10)11(20)15-12;1-3(7(14)15)16-8-10-5-4(2-9-12-5)6(13)11-8;1-3-5-6-4(2)7-3;;/h4-5H,3H2,1-2H3,(H2,13,14,15,18,20);2-3H,1H3,(H3,9,10,11,12,13,14,15);1-2H3;;/p-2.

What are the key properties of 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium)?

2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium) has a molecular weight of 866.61 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-thiadiazole;6-[4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxobutan-2-yl]sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-1-id-4-one;2-[(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-id-6-yl)sulfanyl]propanoic acid;bis(yttrium) is sourced from PubChem (CID 163635872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).