5-butyl-4-ethyl-1-propyltriazole

C11H21N3 — CID 69382165

IUPAC5-butyl-4-ethyl-1-propyltriazole
SMILESCCCCc1c(CC)nnn1CCC
InChIInChI=1S/C11H21N3/c1-4-7-8-11-10(6-3)12-13-14(11)9-5-2/h4-9H2,1-3H3
InChIKeyYTBCPOJLGKEQHV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds6

About 5-butyl-4-ethyl-1-propyltriazole

5-butyl-4-ethyl-1-propyltriazole (PubChem CID 69382165) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-butyl-4-ethyl-1-propyltriazole.

Molecular Properties

Compound Name5-butyl-4-ethyl-1-propyltriazole
PubChem CID69382165
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-butyl-4-ethyl-1-propyltriazole
SMILESCCCCc1c(CC)nnn1CCC
InChIInChI=1S/C11H21N3/c1-4-7-8-11-10(6-3)12-13-14(11)9-5-2/h4-9H2,1-3H3
InChIKeyYTBCPOJLGKEQHV-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethyl-1-propyltriazole?
The IUPAC name of 5-butyl-4-ethyl-1-propyltriazole (CID 69382165) is 5-butyl-4-ethyl-1-propyltriazole.
What is the SMILES notation for 5-butyl-4-ethyl-1-propyltriazole?
The canonical SMILES for 5-butyl-4-ethyl-1-propyltriazole is CCCCc1c(CC)nnn1CCC.
What is the InChIKey of 5-butyl-4-ethyl-1-propyltriazole?
The InChIKey is YTBCPOJLGKEQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-7-8-11-10(6-3)12-13-14(11)9-5-2/h4-9H2,1-3H3.
What are the key properties of 5-butyl-4-ethyl-1-propyltriazole?
5-butyl-4-ethyl-1-propyltriazole has a molecular weight of 195.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-1-propyltriazole is sourced from PubChem (CID 69382165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).