furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole

C56H63N23O4S — CID 158510605

IUPACfuran;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole
SMILESC1=CN=CC1.C1=NC=NC1.C1=NN=NC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cocn1.c1cocn1.c1cocn1
InChIInChI=1S/2C5H5N.2C4H4N2.2C4H5N.C4H4O.C4H4S.3C3H4N2.3C3H3NO.2C2H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-5H;2*1-4H;1,3-4H,2H2;1-5H;2*1-4H;1,3H,2H2;2*1-3H,(H,4,5);3*1-3H;1H,2H2;1-2H,(H,3,4,5)
InChIKeyHKZRRYMZLFTBIG-UHFFFAOYSA-N
MW1154.34 g/mol
LogP11.32
Rot. Bonds

About furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole

furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole (PubChem CID 158510605) has the molecular formula C56H63N23O4S and a molecular weight of 1154.34 g/mol. Its IUPAC name is furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole.

Molecular Properties

Compound Namefuran;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole
PubChem CID158510605
Molecular FormulaC56H63N23O4S
Molecular Weight1154.34 g/mol
Exact Mass1153.52
IUPAC Namefuran;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole
SMILESC1=CN=CC1.C1=NC=NC1.C1=NN=NC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cocn1.c1cocn1.c1cocn1
InChIInChI=1S/2C5H5N.2C4H4N2.2C4H5N.C4H4O.C4H4S.3C3H4N2.3C3H3NO.2C2H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-5H;2*1-4H;1,3-4H,2H2;1-5H;2*1-4H;1,3H,2H2;2*1-3H,(H,4,5);3*1-3H;1H,2H2;1-2H,(H,3,4,5)
InChIKeyHKZRRYMZLFTBIG-UHFFFAOYSA-N
XLogP11.32
TPSA357.45 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001154.34
LogP ≤ 511.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole?
The IUPAC name of furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole (CID 158510605) is furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole.
What is the SMILES notation for furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole?
The canonical SMILES for furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole is C1=CN=CC1.C1=NC=NC1.C1=NN=NC1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cn[nH]n1.c1cnccn1.c1cocn1.c1cocn1.c1cocn1.
What is the InChIKey of furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole?
The InChIKey is HKZRRYMZLFTBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.2C4H4N2.2C4H5N.C4H4O.C4H4S.3C3H4N2.3C3H3NO.2C2H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;3*1-2-5-3-4-1;2*1-2-4-5-3-1/h2*1-5H;2*1-4H;1,3-4H,2H2;1-5H;2*1-4H;1,3H,2H2;2*1-3H,(H,4,5);3*1-3H;1H,2H2;1-2H,(H,3,4,5).
What are the key properties of furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole?
furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole has a molecular weight of 1154.34 g/mol, XLogP of 11.32, 0 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;4H-imidazole;tris(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;thiophene;2H-triazole;4H-triazole is sourced from PubChem (CID 158510605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).