1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole

C15H26N6 — CID 121225577

IUPAC1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole
SMILESCCCn1cc(CCCCCc2cn(CCC)nn2)nn1
InChIInChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3
InChIKeyMUTHZRDXMHMSAA-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.65
Rot. Bonds10

About 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole

1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole (PubChem CID 121225577) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole.

Molecular Properties

Compound Name1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole
PubChem CID121225577
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole
SMILESCCCn1cc(CCCCCc2cn(CCC)nn2)nn1
InChIInChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3
InChIKeyMUTHZRDXMHMSAA-UHFFFAOYSA-N
XLogP2.65
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole?
The IUPAC name of 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole (CID 121225577) is 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole.
What is the SMILES notation for 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole?
The canonical SMILES for 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole is CCCn1cc(CCCCCc2cn(CCC)nn2)nn1.
What is the InChIKey of 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole?
The InChIKey is MUTHZRDXMHMSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole?
1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole has a molecular weight of 290.42 g/mol, XLogP of 2.65, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[5-(1-propyltriazol-4-yl)pentyl]triazole is sourced from PubChem (CID 121225577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).