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

C65H150N24O2S — CID 162266310

IUPACethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
SMILESCC.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.c1cnoc1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.C3H3N3.C3H4N2.C3H3NO.3C2H3N3.C2H2N2O.C2H2N2S.20C2H6.CH2N4/c1-2-4-6-5-3-1;1-4-2-6-3-5-1;2*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;20*1-2;1-2-4-5-3-1/h1-5H;1-3H;1-3H,(H,4,5);1-3H;3*1-2H,(H,3,4,5);2*1-2H;20*1-2H3;1H,(H,2,3,4,5)
InChIKeyZZYKEMLESBVXSH-UHFFFAOYSA-N
MW1332.15 g/mol
LogP21.78
Rot. Bonds

About ethane;1,3,4-oxadiazole;1,2-oxazole;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;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) (PubChem CID 162266310) has the molecular formula C65H150N24O2S and a molecular weight of 1332.15 g/mol. Its IUPAC name is ethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole).

Molecular Properties

Compound Nameethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
PubChem CID162266310
Molecular FormulaC65H150N24O2S
Molecular Weight1332.15 g/mol
Exact Mass1331.21
IUPAC Nameethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
SMILESCC.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.c1cnoc1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C5H5N.C3H3N3.C3H4N2.C3H3NO.3C2H3N3.C2H2N2O.C2H2N2S.20C2H6.CH2N4/c1-2-4-6-5-3-1;1-4-2-6-3-5-1;2*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;20*1-2;1-2-4-5-3-1/h1-5H;1-3H;1-3H,(H,4,5);1-3H;3*1-2H,(H,3,4,5);2*1-2H;20*1-2H3;1H,(H,2,3,4,5)
InChIKeyZZYKEMLESBVXSH-UHFFFAOYSA-N
XLogP21.78
TPSA350.14 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.15
LogP ≤ 521.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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

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Related Compounds

benzene;ethane;1H-imidazole;undecakis(2-methylpropane);1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1H-1,2,4-triazole;2H-triazole
CID 158073654
3-methyl-1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;bis(pyridine);1H-pyrrole;1H-1,2,4-triazole
CID 158538637
1H-imidazole;1,2,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine
CID 158837541
benzene;2,3-dihydro-1H-pyrrole;2,3-dihydro-1,3-thiazole;1H-imidazole;1,3,4-oxadiazole;1,2-oxazole;pyrazine;1H-pyrazole;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;1,2,3,4-tetrahydropyridine;1,2,3,6-tetrahydropyridine;thiophene;2H-triazole
CID 159907686
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
1H-imidazole;1,2-oxazole;1H-pyrazole;pyridine;1H-1,2,4-triazole
CID 161574184
hexakis(2,2-dimethylpropane);1H-imidazole;tris(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole
CID 161643600
ethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)
CID 161850744

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-oxadiazole;1,2-oxazole;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;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole) (CID 162266310) is ethane;1,3,4-oxadiazole;1,2-oxazole;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;1,2-oxazole;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;1,2-oxazole;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.c1ccncc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1cnoc1.c1nc[nH]n1.c1ncncn1.c1nn[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of ethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;pyridine;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;bis(2H-triazole)?
The InChIKey is ZZYKEMLESBVXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C3H3N3.C3H4N2.C3H3NO.3C2H3N3.C2H2N2O.C2H2N2S.20C2H6.CH2N4/c1-2-4-6-5-3-1;1-4-2-6-3-5-1;2*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;20*1-2;1-2-4-5-3-1/h1-5H;1-3H;1-3H,(H,4,5);1-3H;3*1-2H,(H,3,4,5);2*1-2H;20*1-2H3;1H,(H,2,3,4,5).
What are the key properties of ethane;1,3,4-oxadiazole;1,2-oxazole;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;1,2-oxazole;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 1332.15 g/mol, XLogP of 21.78, 0 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-oxadiazole;1,2-oxazole;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 162266310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).