4-butyl-1,5-dipropyltriazole

C12H23N3 — CID 69382498

IUPAC4-butyl-1,5-dipropyltriazole
SMILESCCCCc1nnn(CCC)c1CCC
InChIInChI=1S/C12H23N3/c1-4-7-9-11-12(8-5-2)15(10-6-3)14-13-11/h4-10H2,1-3H3
InChIKeyKWEHYSDWCAVOIV-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.98
Rot. Bonds7

About 4-butyl-1,5-dipropyltriazole

4-butyl-1,5-dipropyltriazole (PubChem CID 69382498) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 4-butyl-1,5-dipropyltriazole.

Molecular Properties

Compound Name4-butyl-1,5-dipropyltriazole
PubChem CID69382498
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name4-butyl-1,5-dipropyltriazole
SMILESCCCCc1nnn(CCC)c1CCC
InChIInChI=1S/C12H23N3/c1-4-7-9-11-12(8-5-2)15(10-6-3)14-13-11/h4-10H2,1-3H3
InChIKeyKWEHYSDWCAVOIV-UHFFFAOYSA-N
XLogP2.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,5-dipropyltriazole?
The IUPAC name of 4-butyl-1,5-dipropyltriazole (CID 69382498) is 4-butyl-1,5-dipropyltriazole.
What is the SMILES notation for 4-butyl-1,5-dipropyltriazole?
The canonical SMILES for 4-butyl-1,5-dipropyltriazole is CCCCc1nnn(CCC)c1CCC.
What is the InChIKey of 4-butyl-1,5-dipropyltriazole?
The InChIKey is KWEHYSDWCAVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-7-9-11-12(8-5-2)15(10-6-3)14-13-11/h4-10H2,1-3H3.
What are the key properties of 4-butyl-1,5-dipropyltriazole?
4-butyl-1,5-dipropyltriazole has a molecular weight of 209.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,5-dipropyltriazole is sourced from PubChem (CID 69382498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).