1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

C45H63N25S4 — CID 159068029

IUPAC1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ccccn1.Cc1ccncc1.Cc1ccsn1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/2C6H7N.2C4H6N2.4C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-5H,1H3;2*2-4H,1H3;6*2-3H,1H3;2H,1H3;1H3
InChIKeyJZHLUEYIXWDCOT-UHFFFAOYSA-N
MW1082.44 g/mol
LogP6.87
Rot. Bonds

About 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole

1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (PubChem CID 159068029) has the molecular formula C45H63N25S4 and a molecular weight of 1082.44 g/mol. Its IUPAC name is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
PubChem CID159068029
Molecular FormulaC45H63N25S4
Molecular Weight1082.44 g/mol
Exact Mass1081.46
IUPAC Name1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
SMILESCc1ccccn1.Cc1ccncc1.Cc1ccsn1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1
InChIInChI=1S/2C6H7N.2C4H6N2.4C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-5H,1H3;2*2-4H,1H3;6*2-3H,1H3;2H,1H3;1H3
InChIKeyJZHLUEYIXWDCOT-UHFFFAOYSA-N
XLogP6.87
TPSA274.49 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.44
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole with MolForge

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Related Compounds

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US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiazol-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
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US11186582, Example 123
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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The IUPAC name of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole (CID 159068029) is 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole.
What is the SMILES notation for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The canonical SMILES for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is Cc1ccccn1.Cc1ccncc1.Cc1ccsn1.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cn1cccn1.Cn1ccnc1.Cn1ccnn1.Cn1cncn1.Cn1cnnn1.Cn1nnnn1.
What is the InChIKey of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
The InChIKey is JZHLUEYIXWDCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.2C4H6N2.4C4H5NS.2C3H5N3.C2H4N4.CH3N5/c1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-2-3-4-5-6;1-6-4-2-3-5-6/h2*2-5H,1H3;2*2-4H,1H3;6*2-3H,1H3;2H,1H3;1H3.
What are the key properties of 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole?
1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole has a molecular weight of 1082.44 g/mol, XLogP of 6.87, 0 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;1-methylpentazole;1-methylpyrazole;2-methylpyridine;4-methylpyridine;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 159068029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).