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

C80H177N29O3S3 — CID 157257586

IUPAC2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(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.CC.CC.Cc1nnc(C)o1.Cc1nnc(C)s1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncon1.c1ncsn1
InChIInChI=1S/C5H5N.C4H6N2O.C4H6N2S.C4H4N2.C3H4N2.4C2H3N3.2C2H2N2O.2C2H2N2S.22C2H6/c1-2-4-6-5-3-1;2*1-3-5-6-4(2)7-3;1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;3*1-3-2-5-4-1;1-2-5-4-3-1;22*1-2/h1-5H;2*1-2H3;1-4H;1-3H,(H,4,5);4*1-2H,(H,3,4,5);4*1-2H;22*1-2H3
InChIKeyAXBMVFVZFMTORM-UHFFFAOYSA-N
MW1689.70 g/mol
LogP26.82
Rot. Bonds

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

2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) (PubChem CID 157257586) has the molecular formula C80H177N29O3S3 and a molecular weight of 1689.70 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole).

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)
PubChem CID157257586
Molecular FormulaC80H177N29O3S3
Molecular Weight1689.70 g/mol
Exact Mass1688.38
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(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.CC.CC.Cc1nnc(C)o1.Cc1nnc(C)s1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncon1.c1ncsn1
InChIInChI=1S/C5H5N.C4H6N2O.C4H6N2S.C4H4N2.C3H4N2.4C2H3N3.2C2H2N2O.2C2H2N2S.22C2H6/c1-2-4-6-5-3-1;2*1-3-5-6-4(2)7-3;1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;3*1-3-2-5-4-1;1-2-5-4-3-1;22*1-2/h1-5H;2*1-2H3;1-4H;1-3H,(H,4,5);4*1-2H,(H,3,4,5);4*1-2H;22*1-2H3
InChIKeyAXBMVFVZFMTORM-UHFFFAOYSA-N
XLogP26.82
TPSA427.73 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001689.70
LogP ≤ 526.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

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

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Related Compounds

ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)
CID 158619686
1-methylpyrazole;bis(1,2,4-oxadiazole);bis(pyridine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene
CID 159894348
ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1H-1,2,4-triazole)
CID 160466070
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
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
ethane;1,2,4-oxadiazole;1,3,4-oxadiazole;pyridine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 161001626
2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;oxadiazole;1,2,4-oxadiazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 161911307

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) (CID 157257586) is 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole).
What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(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.Cc1nnc(C)o1.Cc1nnc(C)s1.c1ccncc1.c1ccnnc1.c1cn[nH]c1.c1cn[nH]n1.c1cn[nH]n1.c1csnn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncon1.c1ncsn1.
What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
The InChIKey is AXBMVFVZFMTORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H6N2O.C4H6N2S.C4H4N2.C3H4N2.4C2H3N3.2C2H2N2O.2C2H2N2S.22C2H6/c1-2-4-6-5-3-1;2*1-3-5-6-4(2)7-3;1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-3-2-5-4-1;2*1-2-4-5-3-1;3*1-3-2-5-4-1;1-2-5-4-3-1;22*1-2/h1-5H;2*1-2H3;1-4H;1-3H,(H,4,5);4*1-2H,(H,3,4,5);4*1-2H;22*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole)?
2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) has a molecular weight of 1689.70 g/mol, XLogP of 26.82, 0 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;bis(1,2,4-oxadiazole);1H-pyrazole;pyridazine;pyridine;thiadiazole;1,2,4-thiadiazole;bis(1H-1,2,4-triazole);bis(2H-triazole) is sourced from PubChem (CID 157257586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).