1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane

C52H108N20 — CID 159317152

IUPAC1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnn(C)c1.Cc1cnn(C)n1.Cc1ncn(C)n1.Cc1nnn(C)n1
InChIInChI=1S/C6H9N.3C5H8N2.3C4H7N3.C3H6N4.8C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-4-3-5-7(2)6-4;1-3-4-6-7(2)5-3;8*1-2/h3-5H,1-2H3;3*3-4H,1-2H3;3*3H,1-2H3;1-2H3;8*1-2H3
InChIKeyLDGZTGKGBKCLHE-UHFFFAOYSA-N
MW1013.58 g/mol
LogP11.62
Rot. Bonds

About 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane

1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane (PubChem CID 159317152) has the molecular formula C52H108N20 and a molecular weight of 1013.58 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane.

Molecular Properties

Compound Name1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane
PubChem CID159317152
Molecular FormulaC52H108N20
Molecular Weight1013.58 g/mol
Exact Mass1012.91
IUPAC Name1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnn(C)c1.Cc1cnn(C)n1.Cc1ncn(C)n1.Cc1nnn(C)n1
InChIInChI=1S/C6H9N.3C5H8N2.3C4H7N3.C3H6N4.8C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-4-3-5-7(2)6-4;1-3-4-6-7(2)5-3;8*1-2/h3-5H,1-2H3;3*3-4H,1-2H3;3*3H,1-2H3;1-2H3;8*1-2H3
InChIKeyLDGZTGKGBKCLHE-UHFFFAOYSA-N
XLogP11.62
TPSA194.12 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.58
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane?
The IUPAC name of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane (CID 159317152) is 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane.
What is the SMILES notation for 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane?
The canonical SMILES for 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn(C)c1.Cc1ccn(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnn(C)c1.Cc1cnn(C)n1.Cc1ncn(C)n1.Cc1nnn(C)n1.
What is the InChIKey of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane?
The InChIKey is LDGZTGKGBKCLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.3C5H8N2.3C4H7N3.C3H6N4.8C2H6/c1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-4-3-5-7(2)6-4;1-3-4-6-7(2)5-3;8*1-2/h3-5H,1-2H3;3*3-4H,1-2H3;3*3H,1-2H3;1-2H3;8*1-2H3.
What are the key properties of 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane?
1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane has a molecular weight of 1013.58 g/mol, XLogP of 11.62, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;2,5-dimethyltetrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;2,4-dimethyltriazole;ethane is sourced from PubChem (CID 159317152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).