1-ethyl-4,5-dipropyltriazole

C10H19N3 — CID 69383163

IUPAC1-ethyl-4,5-dipropyltriazole
SMILESCCCc1nnn(CC)c1CCC
InChIInChI=1S/C10H19N3/c1-4-7-9-10(8-5-2)13(6-3)12-11-9/h4-8H2,1-3H3
InChIKeySPTPXIPAIQHMCP-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.20
Rot. Bonds5

About 1-ethyl-4,5-dipropyltriazole

1-ethyl-4,5-dipropyltriazole (PubChem CID 69383163) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-ethyl-4,5-dipropyltriazole.

Molecular Properties

Compound Name1-ethyl-4,5-dipropyltriazole
PubChem CID69383163
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-ethyl-4,5-dipropyltriazole
SMILESCCCc1nnn(CC)c1CCC
InChIInChI=1S/C10H19N3/c1-4-7-9-10(8-5-2)13(6-3)12-11-9/h4-8H2,1-3H3
InChIKeySPTPXIPAIQHMCP-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4,5-dipropyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,5-dipropyltriazole?
The IUPAC name of 1-ethyl-4,5-dipropyltriazole (CID 69383163) is 1-ethyl-4,5-dipropyltriazole.
What is the SMILES notation for 1-ethyl-4,5-dipropyltriazole?
The canonical SMILES for 1-ethyl-4,5-dipropyltriazole is CCCc1nnn(CC)c1CCC.
What is the InChIKey of 1-ethyl-4,5-dipropyltriazole?
The InChIKey is SPTPXIPAIQHMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-7-9-10(8-5-2)13(6-3)12-11-9/h4-8H2,1-3H3.
What are the key properties of 1-ethyl-4,5-dipropyltriazole?
1-ethyl-4,5-dipropyltriazole has a molecular weight of 181.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,5-dipropyltriazole is sourced from PubChem (CID 69383163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).