furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine

C64H84N22O4S — CID 158298067

IUPACfuran;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine
SMILESC.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1ncncn1
InChIInChI=1S/C5H5N.4C4H4N2.2C4H5N.2C4H4O.C4H4S.C3H3N3.3C3H4N2.2C3H3NO.5CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;5*1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;/h1-5H;4*1-4H;1,3-4H,2H2;1-5H;3*1-4H;1-3H;3*1-3H,(H,4,5);2*1-3H;5*1H4
InChIKeyGMDQVLSJVHCBCI-UHFFFAOYSA-N
MW1257.59 g/mol
LogP14.91
Rot. Bonds

About furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine

furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine (PubChem CID 158298067) has the molecular formula C64H84N22O4S and a molecular weight of 1257.59 g/mol. Its IUPAC name is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine.

Molecular Properties

Compound Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine
PubChem CID158298067
Molecular FormulaC64H84N22O4S
Molecular Weight1257.59 g/mol
Exact Mass1256.68
IUPAC Namefuran;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine
SMILESC.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1ncncn1
InChIInChI=1S/C5H5N.4C4H4N2.2C4H5N.2C4H4O.C4H4S.C3H3N3.3C3H4N2.2C3H3NO.5CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;5*1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;/h1-5H;4*1-4H;1,3-4H,2H2;1-5H;3*1-4H;1-3H;3*1-3H,(H,4,5);2*1-3H;5*1H4
InChIKeyGMDQVLSJVHCBCI-UHFFFAOYSA-N
XLogP14.91
TPSA347.21 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.59
LogP ≤ 514.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine?
The IUPAC name of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine (CID 158298067) is furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine.
What is the SMILES notation for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine?
The canonical SMILES for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine is C.C.C.C.C.C1=CN=CC1.c1c[nH]cn1.c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cocn1.c1cocn1.c1ncncn1.
What is the InChIKey of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine?
The InChIKey is GMDQVLSJVHCBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.4C4H4N2.2C4H5N.2C4H4O.C4H4S.C3H3N3.3C3H4N2.2C3H3NO.5CH4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;5*1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-3-4-1;1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;/h1-5H;4*1-4H;1,3-4H,2H2;1-5H;3*1-4H;1-3H;3*1-3H,(H,4,5);2*1-3H;5*1H4.
What are the key properties of furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine?
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine has a molecular weight of 1257.59 g/mol, XLogP of 14.91, 0 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;thiophene;1,3,5-triazine is sourced from PubChem (CID 158298067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).