ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole)

C72H164N26O2S2 — CID 160929089

About ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole)

ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole) (PubChem CID 160929089) has the molecular formula C72H164N26O2S2 and a molecular weight of 1490.42 g/mol. Its IUPAC name is ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole).

Molecular Properties

• Compound Name: ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole)
• PubChem CID: 160929089
• Molecular Formula: C72H164N26O2S2
• Molecular Weight: 1490.42 g/mol
• Exact Mass: 1489.30
• IUPAC Name: ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;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.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cn[nH]n1.c1cncnc1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C5H5N.2C4H4N2.3C2H3N3.2C2H2N2O.2C2H2N2S.22C2H6.CH2N4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;22*1-2;1-2-4-5-3-1/h1-5H;2*1-4H;3*1-2H,(H,3,4,5);4*1-2H;22*1-2H3;1H,(H,2,3,4,5)
• InChIKey: STAGXGWDZYEZOM-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 373.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.42
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole) (CID 160929089) is ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole).

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

The canonical SMILES for ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;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.c1ccncc1.c1ccnnc1.c1cn[nH]n1.c1cn[nH]n1.c1cncnc1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1.

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

The InChIKey is STAGXGWDZYEZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.3C2H3N3.2C2H2N2O.2C2H2N2S.22C2H6.CH2N4/c1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-3-2-5-4-1;2*1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;22*1-2;1-2-4-5-3-1/h1-5H;2*1-4H;3*1-2H,(H,3,4,5);4*1-2H;22*1-2H3;1H,(H,2,3,4,5).

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

ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole) has a molecular weight of 1490.42 g/mol, XLogP of 24.44, 0 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1H-1,2,4-triazole;bis(2H-triazole) is sourced from PubChem (CID 160929089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).