1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole

C73H99N21O3S2 — CID 161441543

About 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole

1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole (PubChem CID 161441543) has the molecular formula C73H99N21O3S2 and a molecular weight of 1382.87 g/mol. Its IUPAC name is 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole.

Molecular Properties

• Compound Name: 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole
• PubChem CID: 161441543
• Molecular Formula: C73H99N21O3S2
• Molecular Weight: 1382.87 g/mol
• Exact Mass: 1381.77
• IUPAC Name: 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole
• SMILES: C.CC1=C(C)CC=C1.CCn1cccn1.Cc1ccco1.Cc1nccn1C.Cc1nccn1C.Cc1nccs1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.O=C1CC=CN1.c1ccncc1.c1ccncc1.c1ccncc1.c1cn[nH]n1.c1cocn1
• InChI: InChI=1S/C7H10.3C5H8N2.C5H7N.3C5H5N.C5H6O.2C4H6N2.C4H5NO.2C4H5NS.C3H3NO.C2H3N3.CH4/c1-6-4-3-5-7(6)2;2*1-5-6-3-4-7(5)2;1-2-7-5-3-4-6-7;1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;1-5-3-2-4-6-5;2*1-6-4-2-3-5-6;6-4-2-1-3-5-4;2*1-4-5-2-3-6-4;1-2-5-3-4-1;1-2-4-5-3-1;/h3-4H,5H2,1-2H3;2*3-4H,1-2H3;3-5H,2H2,1H3;2-5H,1H3;3*1-5H;3*2-4H,1H3;1,3H,2H2,(H,5,6);2*2-3H,1H3;1-3H;1-2H,(H,3,4,5);1H4
• InChIKey: VZIJNKWXCAMVRT-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 268.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 1
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.87
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole?

The IUPAC name of 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole (CID 161441543) is 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole.

What is the SMILES notation for 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole?

The canonical SMILES for 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole is C.CC1=C(C)CC=C1.CCn1cccn1.Cc1ccco1.Cc1nccn1C.Cc1nccn1C.Cc1nccs1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1cccn1.O=C1CC=CN1.c1ccncc1.c1ccncc1.c1ccncc1.c1cn[nH]n1.c1cocn1.

What is the InChIKey of 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole?

The InChIKey is VZIJNKWXCAMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.3C5H8N2.C5H7N.3C5H5N.C5H6O.2C4H6N2.C4H5NO.2C4H5NS.C3H3NO.C2H3N3.CH4/c1-6-4-3-5-7(6)2;2*1-5-6-3-4-7(5)2;1-2-7-5-3-4-6-7;1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;1-5-3-2-4-6-5;2*1-6-4-2-3-5-6;6-4-2-1-3-5-4;2*1-4-5-2-3-6-4;1-2-5-3-4-1;1-2-4-5-3-1;/h3-4H,5H2,1-2H3;2*3-4H,1-2H3;3-5H,2H2,1H3;2-5H,1H3;3*1-5H;3*2-4H,1H3;1,3H,2H2,(H,5,6);2*2-3H,1H3;1-3H;1-2H,(H,3,4,5);1H4.

What are the key properties of 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole?

1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole has a molecular weight of 1382.87 g/mol, XLogP of 15.38, 1 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dihydropyrrol-2-one;1,2-dimethylcyclopenta-1,3-diene;bis(1,2-dimethylimidazole);1-ethylpyrazole;methane;2-methylfuran;bis(1-methylpyrazole);1-methylpyrrole;bis(2-methyl-1,3-thiazole);1,3-oxazole;tris(pyridine);2H-triazole is sourced from PubChem (CID 161441543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).