furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine

C63H67N29O6S3 — CID 159465240

IUPACfuran;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine
SMILESC1=CCN=C1.C1=CN=CC1.C1=CN=NC1.C1=NN=CC1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1ncncn1.c1ncon1.c1nnco1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.3C2H2N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;2*1-3H;2-3H,1H2;1-2H,3H2;4*1-3H;3*1-2H
InChIKeyLVCCXQLWLRYZBX-UHFFFAOYSA-N
MW1422.63 g/mol
LogP12.14
Rot. Bonds

About furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine

furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine (PubChem CID 159465240) has the molecular formula C63H67N29O6S3 and a molecular weight of 1422.63 g/mol. Its IUPAC name is furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine.

Molecular Properties

Compound Namefuran;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine
PubChem CID159465240
Molecular FormulaC63H67N29O6S3
Molecular Weight1422.63 g/mol
Exact Mass1421.50
IUPAC Namefuran;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine
SMILESC1=CCN=C1.C1=CN=CC1.C1=CN=NC1.C1=NN=CC1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1ncncn1.c1ncon1.c1nnco1
InChIInChI=1S/C5H5N.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.3C2H2N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;2*1-3H;2-3H,1H2;1-2H,3H2;4*1-3H;3*1-2H
InChIKeyLVCCXQLWLRYZBX-UHFFFAOYSA-N
XLogP12.14
TPSA449.47 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001422.63
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine with MolForge

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Related Compounds

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furan;1H-imidazole;tetradecakis(2-methylpropane);1,2,4-oxadiazole;1,2,5-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1,3-thiazole;1H-1,2,4-triazole;2H-triazole
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benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
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2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine?
The IUPAC name of furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine (CID 159465240) is furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine.
What is the SMILES notation for furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine?
The canonical SMILES for furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine is C1=CCN=C1.C1=CN=CC1.C1=CN=NC1.C1=NN=CC1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cnoc1.c1cnsc1.c1cocn1.c1conn1.c1cscn1.c1ncncn1.c1ncon1.c1nnco1.
What is the InChIKey of furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine?
The InChIKey is LVCCXQLWLRYZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.2C4H5N.C4H4O.C4H4S.2C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.3C2H2N2O/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-6-3-4-1;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-5-4-3-1/h1-5H;3*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;2*1-3H;2-3H,1H2;1-2H,3H2;4*1-3H;3*1-2H.
What are the key properties of furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine?
furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine has a molecular weight of 1422.63 g/mol, XLogP of 12.14, 0 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for furan;oxadiazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine is sourced from PubChem (CID 159465240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).