1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine

C25H26N12OS — CID 158682412

IUPAC1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
SMILESc1c[nH]cn1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C5H5N.2C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1/h1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2*1-3H
InChIKeyIFHMMOYQUQJYHY-UHFFFAOYSA-N
MW542.63 g/mol
LogP4.13
Rot. Bonds

About 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine

1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine (PubChem CID 158682412) has the molecular formula C25H26N12OS and a molecular weight of 542.63 g/mol. Its IUPAC name is 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine.

Molecular Properties

Compound Name1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
PubChem CID158682412
Molecular FormulaC25H26N12OS
Molecular Weight542.63 g/mol
Exact Mass542.21
IUPAC Name1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
SMILESc1c[nH]cn1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C5H5N.2C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1/h1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2*1-3H
InChIKeyIFHMMOYQUQJYHY-UHFFFAOYSA-N
XLogP4.13
TPSA170.72 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.63
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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Related Compounds

5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine
CID 148548203
1,3-oxazole;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1,3-thiazole
CID 157049747
ethane;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157291042
1H-imidazole;methane;dodecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;1,3,5-triazine
CID 157309673
1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole
CID 157481827
1H-imidazole;undecakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;bis(1,3-thiazole);1,3,5-triazine
CID 157528866
ethane;2-methyl-3,4-dihydro-2H-pyrrole;5-methyl-1H-imidazole;5-methyl-1,3-oxazole;3-methyloxolane;3-methylpyridine;5-methylpyrimidine;5-methyl-3H-pyrrole;5-methyl-1,3-thiazole
CID 157811678
1H-imidazole;decakis(2-methylpropane);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;1,3,5-triazine
CID 157913383
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole;methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;3-methyl-4H-pyrazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158053582
methane;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;toluene
CID 158226330
methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158284889

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?
The IUPAC name of 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine (CID 158682412) is 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine.
What is the SMILES notation for 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?
The canonical SMILES for 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine is c1c[nH]cn1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1.
What is the InChIKey of 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?
The InChIKey is IFHMMOYQUQJYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1/h1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2*1-3H.
What are the key properties of 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine?
1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine has a molecular weight of 542.63 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine is sourced from PubChem (CID 158682412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).