methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine

C56H98N16 — CID 158045085

About methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine

methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine (PubChem CID 158045085) has the molecular formula C56H98N16 and a molecular weight of 995.51 g/mol. Its IUPAC name is methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine.

Molecular Properties

• Compound Name: methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine
• PubChem CID: 158045085
• Molecular Formula: C56H98N16
• Molecular Weight: 995.51 g/mol
• Exact Mass: 994.82
• IUPAC Name: methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine
• SMILES: C.C.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1nnn(C)n1.Cc1nc(CC(C)C)n[nH]1.Cc1nc(CC(C)C)n[nH]1.Cc1nc(CC(C)C)n[nH]1
• InChI: InChI=1S/3C9H13N.3C7H13N3.C6H12N4.2CH4/c1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-10-9;3*1-5(2)4-7-8-6(3)9-10-7;1-5(2)4-6-7-9-10(3)8-6;;/h3-5,7-8H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3*5H,4H2,1-3H3,(H,8,9,10);5H,4H2,1-3H3;2*1H4
• InChIKey: FIUUJLUNNSKMTB-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 206.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.51
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine?

The IUPAC name of methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine (CID 158045085) is methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine.

What is the SMILES notation for methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine?

The canonical SMILES for methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine is C.C.CC(C)Cc1ccccn1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1nnn(C)n1.Cc1nc(CC(C)C)n[nH]1.Cc1nc(CC(C)C)n[nH]1.Cc1nc(CC(C)C)n[nH]1.

What is the InChIKey of methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine?

The InChIKey is FIUUJLUNNSKMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.3C7H13N3.C6H12N4.2CH4/c1-8(2)6-9-4-3-5-10-7-9;2*1-8(2)7-9-5-3-4-6-10-9;3*1-5(2)4-7-8-6(3)9-10-7;1-5(2)4-6-7-9-10(3)8-6;;/h3-5,7-8H,6H2,1-2H3;2*3-6,8H,7H2,1-2H3;3*5H,4H2,1-3H3,(H,8,9,10);5H,4H2,1-3H3;2*1H4.

What are the key properties of methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine?

methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine has a molecular weight of 995.51 g/mol, XLogP of 12.46, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-methyl-5-(2-methylpropyl)tetrazole;tris(5-methyl-3-(2-methylpropyl)-1H-1,2,4-triazole);bis(2-(2-methylpropyl)pyridine);3-(2-methylpropyl)pyridine is sourced from PubChem (CID 158045085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).