3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane

C170H311N29O3 — CID 159239091

About 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane

3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane (PubChem CID 159239091) has the molecular formula C170H311N29O3 and a molecular weight of 2809.56 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane.

Molecular Properties

• Compound Name: 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
• PubChem CID: 159239091
• Molecular Formula: C170H311N29O3
• Molecular Weight: 2809.56 g/mol
• Exact Mass: 2807.51
• IUPAC Name: 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)CC1=CCC=N1.CC(C)(C)CC1=CCN=C1.CC(C)(C)CC1=NC=CC1.CC(C)(C)CC1=NCC=C1.CC(C)(C)CC1=NN=CC1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1cncnc1.CC1=NC(CC(C)(C)C)=NC1.CC1=NCN=C1CC(C)(C)C.Cc1cc(CC(C)(C)C)on1.Cc1ncc(CC(C)(C)C)o1.Cc1nnc(CC(C)(C)C)n1C.Cc1noc(CC(C)(C)C)n1.Cn1cc(CC(C)(C)C)nn1
• InChI: InChI=1S/C10H15N.C9H17N3.C9H14N2.2C9H16N2.3C9H14N2.2C9H15NO.4C9H15N.C8H15N3.C8H14N2O.C8H14N2.9C2H6.CH4/c1-10(2,3)8-9-6-4-5-7-11-9;1-7-10-11-8(12(7)5)6-9(2,3)4;1-9(2,3)4-8-5-10-7-11-6-8;1-7-8(11-6-10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-9(2,3)6-8-7-10-4-5-11-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-5-4-6-10-11-8;1-7-10-6-8(11-7)5-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-9(2,3)6-8-4-5-10-7-8;3*1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)5-7-6-11(4)10-9-7;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7;9*1-2;/h4-7H,8H2,1-3H3;6H2,1-5H3;5-7H,4H2,1-3H3;2*5-6H2,1-4H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;5H,6H2,1-4H3;4,7H,5-6H2,1-3H3;5-6H,4,7H2,1-3H3;4,6H,5,7H2,1-3H3;4-5H,6-7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;5H,4,6H2,1-3H3;9*1-2H3;1H4
• InChIKey: KTVPITOEKHVUOH-UHFFFAOYSA-N
• XLogP: 48.30
• TPSA: 392.01 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2809.56
LogP ≤ 5	48.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane?

The IUPAC name of 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane (CID 159239091) is 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane.

What is the SMILES notation for 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane?

The canonical SMILES for 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)CC1=CCC=N1.CC(C)(C)CC1=CCN=C1.CC(C)(C)CC1=NC=CC1.CC(C)(C)CC1=NCC=C1.CC(C)(C)CC1=NN=CC1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnn1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1cncnc1.CC1=NC(CC(C)(C)C)=NC1.CC1=NCN=C1CC(C)(C)C.Cc1cc(CC(C)(C)C)on1.Cc1ncc(CC(C)(C)C)o1.Cc1nnc(CC(C)(C)C)n1C.Cc1noc(CC(C)(C)C)n1.Cn1cc(CC(C)(C)C)nn1.

What is the InChIKey of 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane?

The InChIKey is KTVPITOEKHVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H17N3.C9H14N2.2C9H16N2.3C9H14N2.2C9H15NO.4C9H15N.C8H15N3.C8H14N2O.C8H14N2.9C2H6.CH4/c1-10(2,3)8-9-6-4-5-7-11-9;1-7-10-11-8(12(7)5)6-9(2,3)4;1-9(2,3)4-8-5-10-7-11-6-8;1-7-8(11-6-10-7)5-9(2,3)4;1-7-6-10-8(11-7)5-9(2,3)4;1-9(2,3)6-8-7-10-4-5-11-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-5-4-6-10-11-8;1-7-10-6-8(11-7)5-9(2,3)4;1-7-5-8(11-10-7)6-9(2,3)4;1-9(2,3)6-8-4-5-10-7-8;3*1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)5-7-6-11(4)10-9-7;1-6-9-7(11-10-6)5-8(2,3)4;1-8(2,3)6-7-4-5-9-10-7;9*1-2;/h4-7H,8H2,1-3H3;6H2,1-5H3;5-7H,4H2,1-3H3;2*5-6H2,1-4H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;6H,5H2,1-4H3;5H,6H2,1-4H3;4,7H,5-6H2,1-3H3;5-6H,4,7H2,1-3H3;4,6H,5,7H2,1-3H3;4-5H,6-7H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;5H,4,6H2,1-3H3;9*1-2H3;1H4.

What are the key properties of 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane?

3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane has a molecular weight of 2809.56 g/mol, XLogP of 48.30, 17 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane is sourced from PubChem (CID 159239091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).