1-butyl-5-(2-methylpropyl)-4-propyltriazole

C13H25N3 — CID 69382483

IUPAC1-butyl-5-(2-methylpropyl)-4-propyltriazole
SMILESCCCCn1nnc(CCC)c1CC(C)C
InChIInChI=1S/C13H25N3/c1-5-7-9-16-13(10-11(3)4)12(8-6-2)14-15-16/h11H,5-10H2,1-4H3
InChIKeyWPUHXJGEUACOLU-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.23
Rot. Bonds7

About 1-butyl-5-(2-methylpropyl)-4-propyltriazole

1-butyl-5-(2-methylpropyl)-4-propyltriazole (PubChem CID 69382483) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-butyl-5-(2-methylpropyl)-4-propyltriazole.

Molecular Properties

Compound Name1-butyl-5-(2-methylpropyl)-4-propyltriazole
PubChem CID69382483
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-butyl-5-(2-methylpropyl)-4-propyltriazole
SMILESCCCCn1nnc(CCC)c1CC(C)C
InChIInChI=1S/C13H25N3/c1-5-7-9-16-13(10-11(3)4)12(8-6-2)14-15-16/h11H,5-10H2,1-4H3
InChIKeyWPUHXJGEUACOLU-UHFFFAOYSA-N
XLogP3.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(2-methylpropyl)-4-propyltriazole?
The IUPAC name of 1-butyl-5-(2-methylpropyl)-4-propyltriazole (CID 69382483) is 1-butyl-5-(2-methylpropyl)-4-propyltriazole.
What is the SMILES notation for 1-butyl-5-(2-methylpropyl)-4-propyltriazole?
The canonical SMILES for 1-butyl-5-(2-methylpropyl)-4-propyltriazole is CCCCn1nnc(CCC)c1CC(C)C.
What is the InChIKey of 1-butyl-5-(2-methylpropyl)-4-propyltriazole?
The InChIKey is WPUHXJGEUACOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-9-16-13(10-11(3)4)12(8-6-2)14-15-16/h11H,5-10H2,1-4H3.
What are the key properties of 1-butyl-5-(2-methylpropyl)-4-propyltriazole?
1-butyl-5-(2-methylpropyl)-4-propyltriazole has a molecular weight of 223.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(2-methylpropyl)-4-propyltriazole is sourced from PubChem (CID 69382483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).