1-(3-ethoxypropyl)triazole

C7H13N3O — CID 121367220

IUPAC1-(3-ethoxypropyl)triazole
SMILESCCOCCCn1ccnn1
InChIInChI=1S/C7H13N3O/c1-2-11-7-3-5-10-6-4-8-9-10/h4,6H,2-3,5,7H2,1H3
InChIKeyWECWMHNOBBCQEV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.70
Rot. Bonds5

About 1-(3-ethoxypropyl)triazole

1-(3-ethoxypropyl)triazole (PubChem CID 121367220) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)triazole.

Molecular Properties

Compound Name1-(3-ethoxypropyl)triazole
PubChem CID121367220
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(3-ethoxypropyl)triazole
SMILESCCOCCCn1ccnn1
InChIInChI=1S/C7H13N3O/c1-2-11-7-3-5-10-6-4-8-9-10/h4,6H,2-3,5,7H2,1H3
InChIKeyWECWMHNOBBCQEV-UHFFFAOYSA-N
XLogP0.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(3-ethoxypropyl)triazole?
The IUPAC name of 1-(3-ethoxypropyl)triazole (CID 121367220) is 1-(3-ethoxypropyl)triazole.
What is the SMILES notation for 1-(3-ethoxypropyl)triazole?
The canonical SMILES for 1-(3-ethoxypropyl)triazole is CCOCCCn1ccnn1.
What is the InChIKey of 1-(3-ethoxypropyl)triazole?
The InChIKey is WECWMHNOBBCQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-11-7-3-5-10-6-4-8-9-10/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 1-(3-ethoxypropyl)triazole?
1-(3-ethoxypropyl)triazole has a molecular weight of 155.20 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)triazole is sourced from PubChem (CID 121367220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).