2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine

C64H105N19O — CID 161053620

About 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine

2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine (PubChem CID 161053620) has the molecular formula C64H105N19O and a molecular weight of 1156.68 g/mol. Its IUPAC name is 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine.

Molecular Properties

• Compound Name: 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
• PubChem CID: 161053620
• Molecular Formula: C64H105N19O
• Molecular Weight: 1156.68 g/mol
• Exact Mass: 1155.87
• IUPAC Name: 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
• SMILES: CC(C)C.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cnc2c1CCCC2.CC(C)n1cnnc1.Cc1ccn[nH]1.c1ccncc1
• InChI: InChI=1S/C10H16N2.C7H11N.3C6H10N2.C6H9NO.2C5H9N3.C5H5N.C4H6N2.C4H10/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;1-4-2-3-5-6-4;1-4(2)3/h7-8H,3-6H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1-5H;2-3H,1H3,(H,5,6);4H,1-3H3
• InChIKey: UCLNFVMPAKASKT-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 226.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.68
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

The IUPAC name of 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine (CID 161053620) is 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine.

What is the SMILES notation for 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

The canonical SMILES for 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine is CC(C)C.CC(C)c1cn[nH]c1.CC(C)c1cn[nH]n1.CC(C)c1cnco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1cnc2c1CCCC2.CC(C)n1cnnc1.Cc1ccn[nH]1.c1ccncc1.

What is the InChIKey of 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

The InChIKey is UCLNFVMPAKASKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C7H11N.3C6H10N2.C6H9NO.2C5H9N3.C5H5N.C4H6N2.C4H10/c1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-8-4-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-3-7-4-8-6;1-5(2)8-3-6-7-4-8;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;1-4-2-3-5-6-4;1-4(2)3/h7-8H,3-6H2,1-2H3;3-7H,1-2H3;3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);1-5H;2-3H,1H3,(H,5,6);4H,1-3H3.

What are the key properties of 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine?

2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine has a molecular weight of 1156.68 g/mol, XLogP of 15.92, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropane;5-methyl-1H-pyrazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine is sourced from PubChem (CID 161053620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).