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

C52H56N22O3S3 — CID 157390136

IUPACfuran;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1
InChIInChI=1S/C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h1-5H;3*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5)
InChIKeyBLXGQPAZVXSWGK-UHFFFAOYSA-N
MW1133.37 g/mol
LogP10.68
Rot. Bonds

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

furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole (PubChem CID 157390136) has the molecular formula C52H56N22O3S3 and a molecular weight of 1133.37 g/mol. Its IUPAC name is furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole.

Molecular Properties

Compound Namefuran;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole
PubChem CID157390136
Molecular FormulaC52H56N22O3S3
Molecular Weight1133.37 g/mol
Exact Mass1132.41
IUPAC Namefuran;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole
SMILESc1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1
InChIInChI=1S/C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h1-5H;3*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5)
InChIKeyBLXGQPAZVXSWGK-UHFFFAOYSA-N
XLogP10.68
TPSA334.60 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.37
LogP ≤ 510.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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

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Related Compounds

furan;1H-imidazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 69493878
5-[5-(4-pyrazin-2-ylpyridazin-3-yl)thiadiazol-4-yl]-4-[5-[4-[2-[2-[3-[2-[3-[2-[4-(1H-pyrazol-3-yl)-1H-imidazol-5-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1,2-thiazol-4-yl]-3-pyridinyl]pyrimidin-4-yl]-1H-triazol-5-yl]tetrazol-1-yl]oxadiazole
CID 123662643
4-[2-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-3-yl)-6-(1H-pyrrol-2-yl)-1-thiophen-2-ylpyridazin-3-yl]-1-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1H-tetrazol-5-yl)-3-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)-1,3-diazinan-2-yl]oxadiazole
CID 141473078
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
ethane;isoquinoline;bis(2-methylpropane);bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-diaza-3-azanidacyclopenta-1,4-diene;4-propan-2-yl-1,3-diaza-2-azanidacyclopenta-3,5-diene;4-propan-2-yl-2,3-diaza-1-azanidacyclopenta-2,4-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;5-propan-2-yl-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;quinoline;pentakis(rubidium(1+))
CID 157097324
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;2H-triazole
CID 157108042
1H-benzimidazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
CID 157108289
furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157113155

Frequently Asked Questions

What is the IUPAC name of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
The IUPAC name of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole (CID 157390136) is furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole.
What is the SMILES notation for furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
The canonical SMILES for furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole is c1c[nH]cn1.c1cc[nH]c1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.
What is the InChIKey of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
The InChIKey is BLXGQPAZVXSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h1-5H;3*1-4H;1-5H;2*1-4H;1-3H;2*1-3H,(H,4,5);4*1-3H;1-2H,(H,3,4,5).
What are the key properties of furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole?
furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole has a molecular weight of 1133.37 g/mol, XLogP of 10.68, 0 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;1H-1,2,4-triazole is sourced from PubChem (CID 157390136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).