1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole

C15H26N6O2 — CID 134361230

IUPAC1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole
SMILESCC(C)n1cc(COC(C)(C)OCc2cn(C(C)C)nn2)nn1
InChIInChI=1S/C15H26N6O2/c1-11(2)20-7-13(16-18-20)9-22-15(5,6)23-10-14-8-21(12(3)4)19-17-14/h7-8,11-12H,9-10H2,1-6H3
InChIKeyURONLSZSALWTLT-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.50
Rot. Bonds8

About 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole

1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole (PubChem CID 134361230) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole
PubChem CID134361230
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole
SMILESCC(C)n1cc(COC(C)(C)OCc2cn(C(C)C)nn2)nn1
InChIInChI=1S/C15H26N6O2/c1-11(2)20-7-13(16-18-20)9-22-15(5,6)23-10-14-8-21(12(3)4)19-17-14/h7-8,11-12H,9-10H2,1-6H3
InChIKeyURONLSZSALWTLT-UHFFFAOYSA-N
XLogP2.50
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole?
The IUPAC name of 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole (CID 134361230) is 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole.
What is the SMILES notation for 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole?
The canonical SMILES for 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole is CC(C)n1cc(COC(C)(C)OCc2cn(C(C)C)nn2)nn1.
What is the InChIKey of 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole?
The InChIKey is URONLSZSALWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-11(2)20-7-13(16-18-20)9-22-15(5,6)23-10-14-8-21(12(3)4)19-17-14/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole?
1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole has a molecular weight of 322.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[2-[(1-propan-2-yltriazol-4-yl)methoxy]propan-2-yloxymethyl]triazole is sourced from PubChem (CID 134361230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).