bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

C53H113N33 — CID 158469676

About bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 158469676) has the molecular formula C53H113N33 and a molecular weight of 1212.72 g/mol. Its IUPAC name is bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 158469676
• Molecular Formula: C53H113N33
• Molecular Weight: 1212.72 g/mol
• Exact Mass: 1211.99
• IUPAC Name: bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=N1.CC1=NCC=N1.Cc1cn[nH]n1.Cc1ncn[nH]1.Cc1nnn(C)n1.Cc1nnn(C)n1.Cn1ccnn1.Cn1cncn1.Cn1cncn1.Cn1cnnc1.Cn1nccn1
• InChI: InChI=1S/2C4H6N2.2C3H6N4.7C3H5N3.9C2H6/c1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-3-4-6-7(2)5-3;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;9*1-2/h2*2H,3H2,1H3;2*1-2H3;5*2-3H,1H3;2*2H,1H3,(H,4,5,6);9*1-2H3
• InChIKey: HGESTBUKQACWCN-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 373.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1212.72
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

The IUPAC name of bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (CID 158469676) is bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCN=N1.CC1=NCC=N1.Cc1cn[nH]n1.Cc1ncn[nH]1.Cc1nnn(C)n1.Cc1nnn(C)n1.Cn1ccnn1.Cn1cncn1.Cn1cncn1.Cn1cnnc1.Cn1nccn1.

What is the InChIKey of bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

The InChIKey is HGESTBUKQACWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2.2C3H6N4.7C3H5N3.9C2H6/c1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-3-4-6-7(2)5-3;1-6-2-4-5-3-6;2*1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-6-4-2-3-5-6;1-3-4-2-5-6-3;1-3-2-4-6-5-3;9*1-2/h2*2H,3H2,1H3;2*1-2H3;5*2-3H,1H3;2*2H,1H3,(H,4,5,6);9*1-2H3.

What are the key properties of bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1212.72 g/mol, XLogP of 9.42, 0 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,5-dimethyltetrazole);ethane;2-methyl-4H-imidazole;5-methyl-3H-pyrazole;1-methyltriazole;bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158469676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).