5-ethyl-3-hexyl-1,2-dihydrotriazole

C10H21N3 — CID 70231178

IUPAC5-ethyl-3-hexyl-1,2-dihydrotriazole
SMILESCCCCCCN1C=C(CC)NN1
InChIInChI=1S/C10H21N3/c1-3-5-6-7-8-13-9-10(4-2)11-12-13/h9,11-12H,3-8H2,1-2H3
InChIKeyAYVTUHMNJRZVPQ-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.14
Rot. Bonds6

About 5-ethyl-3-hexyl-1,2-dihydrotriazole

5-ethyl-3-hexyl-1,2-dihydrotriazole (PubChem CID 70231178) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 5-ethyl-3-hexyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name5-ethyl-3-hexyl-1,2-dihydrotriazole
PubChem CID70231178
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name5-ethyl-3-hexyl-1,2-dihydrotriazole
SMILESCCCCCCN1C=C(CC)NN1
InChIInChI=1S/C10H21N3/c1-3-5-6-7-8-13-9-10(4-2)11-12-13/h9,11-12H,3-8H2,1-2H3
InChIKeyAYVTUHMNJRZVPQ-UHFFFAOYSA-N
XLogP2.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
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 5-ethyl-3-hexyl-1,2-dihydrotriazole?
The IUPAC name of 5-ethyl-3-hexyl-1,2-dihydrotriazole (CID 70231178) is 5-ethyl-3-hexyl-1,2-dihydrotriazole.
What is the SMILES notation for 5-ethyl-3-hexyl-1,2-dihydrotriazole?
The canonical SMILES for 5-ethyl-3-hexyl-1,2-dihydrotriazole is CCCCCCN1C=C(CC)NN1.
What is the InChIKey of 5-ethyl-3-hexyl-1,2-dihydrotriazole?
The InChIKey is AYVTUHMNJRZVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-5-6-7-8-13-9-10(4-2)11-12-13/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 5-ethyl-3-hexyl-1,2-dihydrotriazole?
5-ethyl-3-hexyl-1,2-dihydrotriazole has a molecular weight of 183.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-hexyl-1,2-dihydrotriazole is sourced from PubChem (CID 70231178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).