heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)

C65H135N17S2 — CID 159261719

About heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)

heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole) (PubChem CID 159261719) has the molecular formula C65H135N17S2 and a molecular weight of 1219.05 g/mol. Its IUPAC name is heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
• PubChem CID: 159261719
• Molecular Formula: C65H135N17S2
• Molecular Weight: 1219.05 g/mol
• Exact Mass: 1218.05
• IUPAC Name: heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CNNN1.CC(C)c1cn[nH]n1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cncn1
• InChI: InChI=1S/2C6H9NS.3C5H9N3.C5H11N3.C5H9N3.7C4H10/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;2*1-4(2)5-6-3-7-8-5;2*1-4(2)5-3-6-8-7-5;7*1-4(2)3/h3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4,6-8H,1-2H3;3-4H,1-2H3,(H,6,7,8);7*4H,1-3H3
• InChIKey: KWPAMSLGCNAPTC-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 217.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1219.05
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

The IUPAC name of heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole) (CID 159261719) is heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole).

What is the SMILES notation for heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

The canonical SMILES for heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1=CNNN1.CC(C)c1cn[nH]n1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncn[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cncn1.

What is the InChIKey of heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

The InChIKey is KWPAMSLGCNAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9NS.3C5H9N3.C5H11N3.C5H9N3.7C4H10/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;2*1-4(2)5-6-3-7-8-5;2*1-4(2)5-3-6-8-7-5;7*1-4(2)3/h3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4,6-8H,1-2H3;3-4H,1-2H3,(H,6,7,8);7*4H,1-3H3.

What are the key properties of heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)?

heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole) has a molecular weight of 1219.05 g/mol, XLogP of 19.91, 7 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole) is sourced from PubChem (CID 159261719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).