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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-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
SMILESCC(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
InChIInChI=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)
InChIKeyGGRNEKYBPJLXLV-UHFFFAOYSA-N
MW2211.23 g/mol
LogP32.05
Rot. Bonds18
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).
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Sources
- PubChem CID 158250766 — identifiers, structure, computed properties (public domain)
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