imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium

C44H40N15O3SY- — CID 157458212

About imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium

imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium (PubChem CID 157458212) has the molecular formula C44H40N15O3SY- and a molecular weight of 947.88 g/mol. Its IUPAC name is imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium.

Molecular Properties

• Compound Name: imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium
• PubChem CID: 157458212
• Molecular Formula: C44H40N15O3SY-
• Molecular Weight: 947.88 g/mol
• Exact Mass: 947.22
• IUPAC Name: imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium
• SMILES: [Y].c1c[n-]cn1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1nnco1
• InChI: InChI=1S/C9H7N.C8H6N2.C5H5N.2C4H4N2.C3H3N2.2C3H3NO.C3H3NS.C2H2N2O.Y/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;/h1-7H;1-6H;1-5H;2*1-4H;4*1-3H;1-2H;/q;;;;;-1
• InChIKey: HQTUGAUKXYUPKF-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 233.98 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	947.88
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

The IUPAC name of imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium (CID 157458212) is imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium.

What is the SMILES notation for imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

The canonical SMILES for imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium is [Y].c1c[n-]cn1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1cscn1.c1nnco1.

What is the InChIKey of imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

The InChIKey is HQTUGAUKXYUPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2.C5H5N.2C4H4N2.C3H3N2.2C3H3NO.C3H3NS.C2H2N2O.Y/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;/h1-7H;1-6H;1-5H;2*1-4H;4*1-3H;1-2H;/q;;;;;-1;;;;;.

What are the key properties of imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium?

imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium has a molecular weight of 947.88 g/mol, XLogP of 8.50, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for imidazol-3-ide;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;quinoline;quinoxaline;1,3-thiazole;yttrium is sourced from PubChem (CID 157458212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).