3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane
C135H227N21 — CID 157417799
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane
SMILESC.C.C.CC(C)C1=CN(C(C)C)CN1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cccnc1C(C)C.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cncnc1C(C)C.CC(C)c1cnncc1C(C)C.CC(C)c1nccnc1C(C)C
InChIInChI=1S/6C11H17N.4C10H16N2.C9H18N2.C9H16N2.C8H15N3.3CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;2*1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-5-11-12-6-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-12-10(9)8(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;;;/h6*5-9H,1-4H3;4*5-8H,1-4H3;5,7-8,10H,6H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3;3*1H4
InChIKeyBPBCCFKTQBEPSZ-UHFFFAOYSA-N
MW2144.45 g/mol
LogP39.10
Rot. Bonds26
About 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane
3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane (PubChem CID 157417799) has the molecular formula C135H227N21 and a molecular weight of 2144.45 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane.
Molecular Properties
| Compound Name | 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane |
|---|---|
| PubChem CID | 157417799 |
| Molecular Formula | C135H227N21 |
| Molecular Weight | 2144.45 g/mol |
| Exact Mass | 2142.84 |
| IUPAC Name | 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane |
| SMILES | C.C.C.CC(C)C1=CN(C(C)C)CN1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cccnc1C(C)C.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cncnc1C(C)C.CC(C)c1cnncc1C(C)C.CC(C)c1nccnc1C(C)C |
| InChI | InChI=1S/6C11H17N.4C10H16N2.C9H18N2.C9H16N2.C8H15N3.3CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;2*1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-5-11-12-6-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-12-10(9)8(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;;;/h6*5-9H,1-4H3;4*5-8H,1-4H3;5,7-8,10H,6H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3;3*1H4 |
| InChIKey | BPBCCFKTQBEPSZ-UHFFFAOYSA-N |
| XLogP | 39.10 |
| TPSA | 244.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 156 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2144.45 |
| LogP ≤ 5 | 39.10 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 21 |
Frequently Asked Questions
What is the IUPAC name of 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane?
The IUPAC name of 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane (CID 157417799) is 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane is C.C.C.CC(C)C1=CN(C(C)C)CN1.CC(C)c1cccc(C(C)C)n1.CC(C)c1cccnc1C(C)C.CC(C)c1ccnc(C(C)C)c1.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccnnc1C(C)C.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cncc(C(C)C)c1.CC(C)c1cncnc1C(C)C.CC(C)c1cnncc1C(C)C.CC(C)c1nccnc1C(C)C.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane?
The InChIKey is BPBCCFKTQBEPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H17N.4C10H16N2.C9H18N2.C9H16N2.C8H15N3.3CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;2*1-8(2)10-5-6-12-7-11(10)9(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-8(2)10-6-5-7-12-11(10)9(3)4;1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-11-6-12-10(9)8(3)4;1-7(2)9-5-11-12-6-10(9)8(3)4;1-7(2)9-10(8(3)4)12-6-5-11-9;1-7(2)9-5-6-11-12-10(9)8(3)4;2*1-7(2)9-5-11(6-10-9)8(3)4;1-6(2)8-5-11(7(3)4)10-9-8;;;/h6*5-9H,1-4H3;4*5-8H,1-4H3;5,7-8,10H,6H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3;3*1H4.
What are the key properties of 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane?
3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane has a molecular weight of 2144.45 g/mol, XLogP of 39.10, 26 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2-dihydroimidazole;1,4-di(propan-2-yl)imidazole;2,3-di(propan-2-yl)pyrazine;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);3,5-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;1,4-di(propan-2-yl)triazole;methane is sourced from PubChem (CID 157417799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157417799 — identifiers, structure, computed properties (public domain)
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