ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)

C76H189N23OS — CID 160583184

About ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)

ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) (PubChem CID 160583184) has the molecular formula C76H189N23OS and a molecular weight of 1473.57 g/mol. Its IUPAC name is ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole).

Molecular Properties

• Compound Name: ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
• PubChem CID: 160583184
• Molecular Formula: C76H189N23OS
• Molecular Weight: 1473.57 g/mol
• Exact Mass: 1472.52
• IUPAC Name: ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C5H5N.C3H3N3.C3H4N2.3C2H3N3.C2H2N2O.C2H2N2S.27C2H6.CH2N4/c1-2-4-6-5-3-1;1-4-2-6-3-5-1;1-2-4-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1;2*1-3-4-2-5-1;27*1-2;1-2-4-5-3-1/h1-5H;1-3H;1-3H,(H,4,5);3*1-2H,(H,3,4,5);2*1-2H;27*1-2H3;1H,(H,2,3,4,5)
• InChIKey: RCAYYOJWAWSIQF-UHFFFAOYSA-N
• XLogP: 28.29
• TPSA: 324.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.57
LogP ≤ 5	28.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

The IUPAC name of ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) (CID 160583184) is ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole).

What is the SMILES notation for ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

The canonical SMILES for ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1.

What is the InChIKey of ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

The InChIKey is RCAYYOJWAWSIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H3N3.C3H4N2.3C2H3N3.C2H2N2O.C2H2N2S.27C2H6.CH2N4/c1-2-4-6-5-3-1;1-4-2-6-3-5-1;1-2-4-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1;2*1-3-4-2-5-1;27*1-2;1-2-4-5-3-1/h1-5H;1-3H;1-3H,(H,4,5);3*1-2H,(H,3,4,5);2*1-2H;27*1-2H3;1H,(H,2,3,4,5).

What are the key properties of ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?

ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) has a molecular weight of 1473.57 g/mol, XLogP of 28.29, 0 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1,3,4-oxadiazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) is sourced from PubChem (CID 160583184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).