benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine

C34H34N10OS — CID 161459440

IUPACbenzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine
SMILESc1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C6H6.C5H5N.3C4H4N2.C4H4O.C4H4S.C3H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1/h1-6H;1-5H;3*1-4H;2*1-4H;1-3H
InChIKeyWBPGIEIXUUPAJF-UHFFFAOYSA-N
MW630.78 g/mol
LogP7.10
Rot. Bonds

About benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine

benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine (PubChem CID 161459440) has the molecular formula C34H34N10OS and a molecular weight of 630.78 g/mol. Its IUPAC name is benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine.

Molecular Properties

Compound Namebenzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine
PubChem CID161459440
Molecular FormulaC34H34N10OS
Molecular Weight630.78 g/mol
Exact Mass630.26
IUPAC Namebenzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine
SMILESc1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1ncncn1
InChIInChI=1S/C6H6.C5H5N.3C4H4N2.C4H4O.C4H4S.C3H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1/h1-6H;1-5H;3*1-4H;2*1-4H;1-3H
InChIKeyWBPGIEIXUUPAJF-UHFFFAOYSA-N
XLogP7.10
TPSA142.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2,5-Dimethylfuran;2,3-dimethylpyrazine;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,4-dimethylpyridazine;3,5-dimethylpyridazine;3,6-dimethylpyridazine;4,5-dimethylpyridazine;2,4-dimethylpyrimidine;2,5-dimethylpyrimidine;4,5-dimethylpyrimidine;4,6-dimethylpyrimidine;2,5-dimethylthiophene;2,4-dimethyl-1,3,5-triazine;2,5-dimethyl-1-(trifluoromethyl)pyrrole;2,3,4,5,6-pentamethylpyridine;2,3,5,6-tetramethylpyrazine;3,4,5,6-tetramethylpyridazine;2,3,4,5-tetramethylpyridine;2,4,5,6-tetramethylpyrimidine;2,3,5-trimethylpyrazine;3,4,5-trimethylpyridazine;3,4,6-trimethylpyridazine;2,4,5-trimethylpyrimidine;2,4,6-trimethylpyrimidine;2,4,6-trimethyl-1,3,5-triazine
CID 158067061
5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine
CID 141035121
benzene;furan;1H-imidazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene;1,3,5-triazine
CID 157132512
Furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 157391026
ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
CID 157452308
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157547111
Benzene;ethane;furan;hexakis(2-methylpropane);pyrazine;pyridine;pyrimidine;thiophene
CID 157689464
Ethane;methane;2-methylfuran;1-methylimidazole;1-methylpyrazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyrrole;2-methylthiophene;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;toluene
CID 157900253
2,5-Di(propan-2-yl)furan;2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;bis(3,5-di(propan-2-yl)pyridazine);3,6-di(propan-2-yl)pyridazine;bis(2,4-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyridine);2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;bis(2,4-di(propan-2-yl)pyrimidine);bis(2,5-di(propan-2-yl)pyrimidine);4,6-di(propan-2-yl)pyrimidine;2,5-di(propan-2-yl)thiophene
CID 157973309
Benzene;pyridazine;pyridine;pyrimidine;pyrylium;1,2,4-triazine;1,3,5-triazine
CID 158324621
benzene;cyclopenta-1,3-diene;furan;1,3,4-oxadiazole;bis(1,3-oxazole);pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2-thiazole;thiophene;1,3,5-triazine
CID 158388637
benzene;cyclopenta-1,3-diene;furan;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;thiophene
CID 158432846

Frequently Asked Questions

What is the IUPAC name of benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine?
The IUPAC name of benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine (CID 161459440) is benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine.
What is the SMILES notation for benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine?
The canonical SMILES for benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine is c1ccccc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1ncncn1.
What is the InChIKey of benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine?
The InChIKey is WBPGIEIXUUPAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.3C4H4N2.C4H4O.C4H4S.C3H3N3/c2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-4-2-6-3-5-1/h1-6H;1-5H;3*1-4H;2*1-4H;1-3H.
What are the key properties of benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine?
benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine has a molecular weight of 630.78 g/mol, XLogP of 7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;pyrazine;pyridazine;pyridine;pyrimidine;thiophene;1,3,5-triazine is sourced from PubChem (CID 161459440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).