furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene

C34H38N10OS — CID 157391026

IUPACfuran;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene
SMILESCn1cccc1.Cn1ccnc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H7N.C5H5N.C4H6N2.3C4H4N2.C4H4O.C4H4S/c1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;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/h2-5H,1H3;1-5H;2-4H,1H3;3*1-4H;2*1-4H
InChIKeyBLZUPWQZVVXXCQ-UHFFFAOYSA-N
MW634.81 g/mol
LogP6.98
Rot. Bonds

About furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene

furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene (PubChem CID 157391026) has the molecular formula C34H38N10OS and a molecular weight of 634.81 g/mol. Its IUPAC name is furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene.

Molecular Properties

Compound Namefuran;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene
PubChem CID157391026
Molecular FormulaC34H38N10OS
Molecular Weight634.81 g/mol
Exact Mass634.30
IUPAC Namefuran;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene
SMILESCn1cccc1.Cn1ccnc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1
InChIInChI=1S/C5H7N.C5H5N.C4H6N2.3C4H4N2.C4H4O.C4H4S/c1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;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/h2-5H,1H3;1-5H;2-4H,1H3;3*1-4H;2*1-4H
InChIKeyBLZUPWQZVVXXCQ-UHFFFAOYSA-N
XLogP6.98
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500634.81
LogP ≤ 56.98
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
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
benzene;furan;1H-imidazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene;1,3,5-triazine
CID 157132512
3-methylfuran;2-methylpyrazine;bis(3-methylpyridine);2-methylpyrimidine;1-methylpyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157330566
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 157348433
ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
CID 157452308
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
furan;1H-imidazole;4H-imidazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;3H-pyrrole;1,3,4-thiadiazole;thiophene;2H-triazole;4H-triazole
CID 157991592
furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;thiophene
CID 158016625
Carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)
CID 158062351

Frequently Asked Questions

What is the IUPAC name of furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene?
The IUPAC name of furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene (CID 157391026) is furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene.
What is the SMILES notation for furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene?
The canonical SMILES for furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene is Cn1cccc1.Cn1ccnc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.
What is the InChIKey of furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene?
The InChIKey is BLZUPWQZVVXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H5N.C4H6N2.3C4H4N2.C4H4O.C4H4S/c1-6-4-2-3-5-6;1-2-4-6-5-3-1;1-6-3-2-5-4-6;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/h2-5H,1H3;1-5H;2-4H,1H3;3*1-4H;2*1-4H.
What are the key properties of furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene?
furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene has a molecular weight of 634.81 g/mol, XLogP of 6.98, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene is sourced from PubChem (CID 157391026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).