1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole

C16H28N6 — CID 139308688

IUPAC1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
SMILESCC(C)c1cnnn1C(C)CCC(C)c1cn(C(C)C)nn1
InChIInChI=1S/C16H28N6/c1-11(2)16-9-17-19-22(16)14(6)8-7-13(5)15-10-21(12(3)4)20-18-15/h9-14H,7-8H2,1-6H3
InChIKeyAUQGHLRBAGNPBE-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.72
Rot. Bonds7

About 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole

1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole (PubChem CID 139308688) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
PubChem CID139308688
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole
SMILESCC(C)c1cnnn1C(C)CCC(C)c1cn(C(C)C)nn1
InChIInChI=1S/C16H28N6/c1-11(2)16-9-17-19-22(16)14(6)8-7-13(5)15-10-21(12(3)4)20-18-15/h9-14H,7-8H2,1-6H3
InChIKeyAUQGHLRBAGNPBE-UHFFFAOYSA-N
XLogP3.72
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
The IUPAC name of 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole (CID 139308688) is 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole.
What is the SMILES notation for 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
The canonical SMILES for 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole is CC(C)c1cnnn1C(C)CCC(C)c1cn(C(C)C)nn1.
What is the InChIKey of 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
The InChIKey is AUQGHLRBAGNPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-11(2)16-9-17-19-22(16)14(6)8-7-13(5)15-10-21(12(3)4)20-18-15/h9-14H,7-8H2,1-6H3.
What are the key properties of 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole?
1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole has a molecular weight of 304.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-(5-propan-2-yltriazol-1-yl)hexan-2-yl]triazole is sourced from PubChem (CID 139308688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).