methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene

C113H143N29O3S2 — CID 157311089

About methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene

methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene (PubChem CID 157311089) has the molecular formula C113H143N29O3S2 and a molecular weight of 2019.72 g/mol. Its IUPAC name is methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene.

Molecular Properties

• Compound Name: methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
• PubChem CID: 157311089
• Molecular Formula: C113H143N29O3S2
• Molecular Weight: 2019.72 g/mol
• Exact Mass: 2018.14
• IUPAC Name: methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene
• SMILES: C.CC1=CCN=C1.Cc1ccc2ncnn2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1cn[nH]c1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1ncccn1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1ccnn1
• InChI: InChI=1S/C7H7N3.2C7H8.4C6H7N.4C5H6N2.2C5H7N.C5H6O.C5H6S.3C4H6N2.2C4H5NO.C4H5NS.C3H5N3.CH4/c1-6-2-3-7-8-5-9-10(7)4-6;2*1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-2-3-6-4-5;1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-6-4-2-3-5-6;1-4-2-6-3-5-4;2*1-4-2-5-3-6-4;1-6-3-2-4-5-6;/h2-5H,1H3;2*2-6H,1H3;4*2-5H,1H3;4*2-4H,1H3;2,4H,3H2,1H3;2-5H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;4*2-3H,1H3;1H4
• InChIKey: BDAXFDIEPZGHHJ-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 375.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2019.72
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene?

The IUPAC name of methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene (CID 157311089) is methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene.

What is the SMILES notation for methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene?

The canonical SMILES for methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene is C.CC1=CCN=C1.Cc1ccc2ncnn2c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccn1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1cn[nH]c1.Cc1cnccn1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1ncccn1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1ccnn1.

What is the InChIKey of methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene?

The InChIKey is BDAXFDIEPZGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.2C7H8.4C6H7N.4C5H6N2.2C5H7N.C5H6O.C5H6S.3C4H6N2.2C4H5NO.C4H5NS.C3H5N3.CH4/c1-6-2-3-7-8-5-9-10(7)4-6;2*1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;2*1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5;1-5-2-3-6-4-5;1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-6-4-2-3-5-6;1-4-2-6-3-5-4;2*1-4-2-5-3-6-4;1-6-3-2-4-5-6;/h2-5H,1H3;2*2-6H,1H3;4*2-5H,1H3;4*2-4H,1H3;2,4H,3H2,1H3;2-5H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-4H,1H3;4*2-3H,1H3;1H4.

What are the key properties of methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene?

methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene has a molecular weight of 2019.72 g/mol, XLogP of 24.84, 0 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-methylfuran;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methylpyrazine;bis(1-methylpyrazole);4-methyl-1H-pyrazole;3-methylpyridazine;bis(2-methylpyridine);bis(3-methylpyridine);2-methylpyrimidine;5-methylpyrimidine;1-methylpyrrole;4-methyl-2H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;toluene is sourced from PubChem (CID 157311089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).