1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole

C90H146N36O3S4 — CID 157170635

About 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole

1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole (PubChem CID 157170635) has the molecular formula C90H146N36O3S4 and a molecular weight of 1908.67 g/mol. Its IUPAC name is 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole
• PubChem CID: 157170635
• Molecular Formula: C90H146N36O3S4
• Molecular Weight: 1908.67 g/mol
• Exact Mass: 1907.13
• IUPAC Name: 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole
• SMILES: CC1=CC=CC1.CC1C=NN=C1.CC1CCCCN1.CC1CNSC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cc1cccnc1.Cc1ccncn1.Cc1ccno1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cnsn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncno1.Cc1ncns1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnn1
• InChI: InChI=1S/C6H7N.2C6H13N.C6H8.C5H12N2.2C5H6N2.C5H11NO.5C4H6N2.C4H5NO.C4H5NS.C4H9NS.C3H5N3.C3H4N2O.2C3H4N2S.C2H4N4/c1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-6-2-4-7-5-3-6;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-3-4-2-5-6;2*1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-6-2-3-4-5-6/h2-5H,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;2-4H,5H2,1H3;6H,2-5H2,1H3;2*2-4H,1H3;2-5H2,1H3;2-3H,1H3,(H,5,6);3*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;4-5H,2-3H2,1H3;2-3H,1H3;4*2H,1H3
• InChIKey: ANKPGUVTUAQFCB-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 440.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.67
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole?

The IUPAC name of 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole (CID 157170635) is 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole.

What is the SMILES notation for 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole?

The canonical SMILES for 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole is CC1=CC=CC1.CC1C=NN=C1.CC1CCCCN1.CC1CNSC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cc1cccnc1.Cc1ccncn1.Cc1ccno1.Cc1cnc[nH]1.Cc1cnccn1.Cc1cnsn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncno1.Cc1ncns1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnn1.

What is the InChIKey of 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole?

The InChIKey is ANKPGUVTUAQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.2C6H13N.C6H8.C5H12N2.2C5H6N2.C5H11NO.5C4H6N2.C4H5NO.C4H5NS.C4H9NS.C3H5N3.C3H4N2O.2C3H4N2S.C2H4N4/c1-6-3-2-4-7-5-6;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-6-2-4-7-5-3-6;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-6-3-4-2-5-6;2*1-3-4-2-5-6-3;1-3-2-4-6-5-3;1-6-2-3-4-5-6/h2-5H,1H3;2-6H2,1H3;6-7H,2-5H2,1H3;2-4H,5H2,1H3;6H,2-5H2,1H3;2*2-4H,1H3;2-5H2,1H3;2-3H,1H3,(H,5,6);3*2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;4-5H,2-3H2,1H3;2-3H,1H3;4*2H,1H3.

What are the key properties of 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole?

1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole has a molecular weight of 1908.67 g/mol, XLogP of 13.95, 0 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylcyclopenta-1,3-diene;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;5-methyl-1,2-oxazole;1-methylpiperazine;1-methylpiperidine;2-methylpiperidine;2-methylpyrazine;1-methylpyrazole;4-methyl-4H-pyrazole;3-methylpyridine;4-methylpyrimidine;1-methyltetrazole;3-methyl-1,2,5-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;4-methyl-1,2-thiazolidine;1-methyl-1,2,4-triazole is sourced from PubChem (CID 157170635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).