1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

C42H58N20O — CID 161214655

IUPAC1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1conn1.Cc1ncn[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1
InChIInChI=1S/2C6H7N.C5H6N2.C5H7N.2C4H6N2.3C3H5N3.C3H4N2O/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-2-6-5-4-3/h2*2-5H,1H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3,(H,4,5,6);2H,1H3
InChIKeyUWRRDDYGXJJZHS-UHFFFAOYSA-N
MW859.06 g/mol
LogP5.55
Rot. Bonds

About 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole

1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 161214655) has the molecular formula C42H58N20O and a molecular weight of 859.06 g/mol. Its IUPAC name is 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
PubChem CID161214655
Molecular FormulaC42H58N20O
Molecular Weight859.06 g/mol
Exact Mass858.51
IUPAC Name1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1conn1.Cc1ncn[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1
InChIInChI=1S/2C6H7N.C5H6N2.C5H7N.2C4H6N2.3C3H5N3.C3H4N2O/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-2-6-5-4-3/h2*2-5H,1H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3,(H,4,5,6);2H,1H3
InChIKeyUWRRDDYGXJJZHS-UHFFFAOYSA-N
XLogP5.55
TPSA234.04 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.06
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole (CID 161214655) is 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1conn1.Cc1ncn[nH]1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.
What is the InChIKey of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is UWRRDDYGXJJZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.C5H6N2.C5H7N.2C4H6N2.3C3H5N3.C3H4N2O/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-3-2-4-6-7-5;1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-6-2-4-5-3-6;1-6-3-4-2-5-6;1-3-4-2-5-6-3;1-3-2-6-5-4-3/h2*2-5H,1H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2*2-3H,1H3;2H,1H3,(H,4,5,6);2H,1H3.
What are the key properties of 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole?
1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 859.06 g/mol, XLogP of 5.55, 0 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;4-methyloxadiazole;1-methylpyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 161214655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).