5-methyl-1,4-dipentyltriazole

C13H25N3 — CID 67229294

IUPAC5-methyl-1,4-dipentyltriazole
SMILESCCCCCc1nnn(CCCCC)c1C
InChIInChI=1S/C13H25N3/c1-4-6-8-10-13-12(3)16(15-14-13)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyZNPDPHFRYDMWLO-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.51
Rot. Bonds8

About 5-methyl-1,4-dipentyltriazole

5-methyl-1,4-dipentyltriazole (PubChem CID 67229294) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-methyl-1,4-dipentyltriazole.

Molecular Properties

Compound Name5-methyl-1,4-dipentyltriazole
PubChem CID67229294
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-methyl-1,4-dipentyltriazole
SMILESCCCCCc1nnn(CCCCC)c1C
InChIInChI=1S/C13H25N3/c1-4-6-8-10-13-12(3)16(15-14-13)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyZNPDPHFRYDMWLO-UHFFFAOYSA-N
XLogP3.51
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-methyl-1,4-dipentyltriazole?
The IUPAC name of 5-methyl-1,4-dipentyltriazole (CID 67229294) is 5-methyl-1,4-dipentyltriazole.
What is the SMILES notation for 5-methyl-1,4-dipentyltriazole?
The canonical SMILES for 5-methyl-1,4-dipentyltriazole is CCCCCc1nnn(CCCCC)c1C.
What is the InChIKey of 5-methyl-1,4-dipentyltriazole?
The InChIKey is ZNPDPHFRYDMWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-8-10-13-12(3)16(15-14-13)11-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of 5-methyl-1,4-dipentyltriazole?
5-methyl-1,4-dipentyltriazole has a molecular weight of 223.36 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-dipentyltriazole is sourced from PubChem (CID 67229294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).