2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole

C123H184N30O2S3 — CID 158250766

About 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158250766) has the molecular formula C123H184N30O2S3 and a molecular weight of 2211.23 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole
• PubChem CID: 158250766
• Molecular Formula: C123H184N30O2S3
• Molecular Weight: 2211.23 g/mol
• Exact Mass: 2209.44
• IUPAC Name: 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole
• SMILES: CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1cscn1.CC(C)c1nc2c(s1)CCCC2.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1
• InChI: InChI=1S/C10H15NS.C8H11NO.3C8H11N.4C7H10N2.C6H9N3.4C6H10N2.C6H9NO.2C6H9NS.C5H9N3/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);3*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;4*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8)
• InChIKey: GGRNEKYBPJLXLV-UHFFFAOYSA-N
• XLogP: 32.05
• TPSA: 434.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2211.23
LogP ≤ 5	32.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole?

The IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole (CID 158250766) is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole.

What is the SMILES notation for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole?

The canonical SMILES for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnncn1.CC(C)c1cscn1.CC(C)c1nc2c(s1)CCCC2.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.

What is the InChIKey of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole?

The InChIKey is GGRNEKYBPJLXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS.C8H11NO.3C8H11N.4C7H10N2.C6H9N3.4C6H10N2.C6H9NO.2C6H9NS.C5H9N3/c1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-8-9-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5/h7H,3-6H2,1-2H3;3-6H,1-2H3,(H,9,10);3*3-7H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;4*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8).

What are the key properties of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole?

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 2211.23 g/mol, XLogP of 32.05, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158250766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).