1-methyl-3,5-dipentyl-1,2,4-triazole

C13H25N3 — CID 67869376

IUPAC1-methyl-3,5-dipentyl-1,2,4-triazole
SMILESCCCCCc1nc(CCCCC)n(C)n1
InChIInChI=1S/C13H25N3/c1-4-6-8-10-12-14-13(16(3)15-12)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyLQQXYHZJQQHGRC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.28
Rot. Bonds8

About 1-methyl-3,5-dipentyl-1,2,4-triazole

1-methyl-3,5-dipentyl-1,2,4-triazole (PubChem CID 67869376) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-methyl-3,5-dipentyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3,5-dipentyl-1,2,4-triazole
PubChem CID67869376
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-methyl-3,5-dipentyl-1,2,4-triazole
SMILESCCCCCc1nc(CCCCC)n(C)n1
InChIInChI=1S/C13H25N3/c1-4-6-8-10-12-14-13(16(3)15-12)11-9-7-5-2/h4-11H2,1-3H3
InChIKeyLQQXYHZJQQHGRC-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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 1-methyl-3,5-dipentyl-1,2,4-triazole?
The IUPAC name of 1-methyl-3,5-dipentyl-1,2,4-triazole (CID 67869376) is 1-methyl-3,5-dipentyl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3,5-dipentyl-1,2,4-triazole?
The canonical SMILES for 1-methyl-3,5-dipentyl-1,2,4-triazole is CCCCCc1nc(CCCCC)n(C)n1.
What is the InChIKey of 1-methyl-3,5-dipentyl-1,2,4-triazole?
The InChIKey is LQQXYHZJQQHGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-6-8-10-12-14-13(16(3)15-12)11-9-7-5-2/h4-11H2,1-3H3.
What are the key properties of 1-methyl-3,5-dipentyl-1,2,4-triazole?
1-methyl-3,5-dipentyl-1,2,4-triazole has a molecular weight of 223.36 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-dipentyl-1,2,4-triazole is sourced from PubChem (CID 67869376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).