1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole

C12H23N3O2 — CID 146355749

IUPAC1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
SMILESCCCOCCCCc1cn(CCOC)nn1
InChIInChI=1S/C12H23N3O2/c1-3-8-17-9-5-4-6-12-11-15(14-13-12)7-10-16-2/h11H,3-10H2,1-2H3
InChIKeyNWFFHFOSQFJOON-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.67
Rot. Bonds10

About 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole

1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole (PubChem CID 146355749) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
PubChem CID146355749
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole
SMILESCCCOCCCCc1cn(CCOC)nn1
InChIInChI=1S/C12H23N3O2/c1-3-8-17-9-5-4-6-12-11-15(14-13-12)7-10-16-2/h11H,3-10H2,1-2H3
InChIKeyNWFFHFOSQFJOON-UHFFFAOYSA-N
XLogP1.67
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
4-butyl-1-[4-(2-iodoethoxy)butyl]triazole
CID 177149820
4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412253
3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
CID 103412240
4-(2-chloroethyl)-1-(2-methoxyethyl)triazole
CID 62400473
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
ethane;4-(4-methoxybutyl)-1-(4-methylpentyl)triazole
CID 155739820
3-[1-(2-propoxyethyl)triazol-4-yl]propanoic acid
CID 107461014
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole?
The IUPAC name of 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole (CID 146355749) is 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole?
The canonical SMILES for 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole is CCCOCCCCc1cn(CCOC)nn1.
What is the InChIKey of 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole?
The InChIKey is NWFFHFOSQFJOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-8-17-9-5-4-6-12-11-15(14-13-12)7-10-16-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole?
1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole has a molecular weight of 241.33 g/mol, XLogP of 1.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-(4-propoxybutyl)triazole is sourced from PubChem (CID 146355749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).