1-ethyl-4-(2-propoxyethyl)triazole

C9H17N3O — CID 162703060

IUPAC1-ethyl-4-(2-propoxyethyl)triazole
SMILESCCCOCCc1cn(CC)nn1
InChIInChI=1S/C9H17N3O/c1-3-6-13-7-5-9-8-12(4-2)11-10-9/h8H,3-7H2,1-2H3
InChIKeySVYLQHKQCOYBLB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.27
Rot. Bonds6

About 1-ethyl-4-(2-propoxyethyl)triazole

1-ethyl-4-(2-propoxyethyl)triazole (PubChem CID 162703060) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-ethyl-4-(2-propoxyethyl)triazole.

Molecular Properties

Compound Name1-ethyl-4-(2-propoxyethyl)triazole
PubChem CID162703060
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-ethyl-4-(2-propoxyethyl)triazole
SMILESCCCOCCc1cn(CC)nn1
InChIInChI=1S/C9H17N3O/c1-3-6-13-7-5-9-8-12(4-2)11-10-9/h8H,3-7H2,1-2H3
InChIKeySVYLQHKQCOYBLB-UHFFFAOYSA-N
XLogP1.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.27
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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Related Compounds

2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
N-[2-[2-(1-ethyltriazol-4-yl)ethoxy]ethoxymethyl]propan-1-amine
CID 159191792
1-ethyl-4-[3-(2-propan-2-yloxyethoxy)propyl]triazole
CID 155402046
1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
CID 146355749
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
bis(1,4-diethyltriazole);ethane
CID 160569546
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 176686546
4-[2-[2-[[2-(but-3-ynoxymethyl)-2-(methoxymethyl)butoxy]methyl]-2-ethylbutoxy]ethyl]-1-ethyltriazole
CID 118372634
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-propoxyethyl)triazole?
The IUPAC name of 1-ethyl-4-(2-propoxyethyl)triazole (CID 162703060) is 1-ethyl-4-(2-propoxyethyl)triazole.
What is the SMILES notation for 1-ethyl-4-(2-propoxyethyl)triazole?
The canonical SMILES for 1-ethyl-4-(2-propoxyethyl)triazole is CCCOCCc1cn(CC)nn1.
What is the InChIKey of 1-ethyl-4-(2-propoxyethyl)triazole?
The InChIKey is SVYLQHKQCOYBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-6-13-7-5-9-8-12(4-2)11-10-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-propoxyethyl)triazole?
1-ethyl-4-(2-propoxyethyl)triazole has a molecular weight of 183.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-propoxyethyl)triazole is sourced from PubChem (CID 162703060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).