4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole

C11H20ClN3O2 — CID 103412253

IUPAC4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
SMILESCOCCOCCCn1cc(CCCCl)nn1
InChIInChI=1S/C11H20ClN3O2/c1-16-8-9-17-7-3-6-15-10-11(13-14-15)4-2-5-12/h10H,2-9H2,1H3
InChIKeyFWOIKBRVGHENAI-UHFFFAOYSA-N
MW261.75 g/mol
LogP1.50
Rot. Bonds10

About 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole

4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole (PubChem CID 103412253) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole.

Molecular Properties

Compound Name4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
PubChem CID103412253
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
SMILESCOCCOCCCn1cc(CCCCl)nn1
InChIInChI=1S/C11H20ClN3O2/c1-16-8-9-17-7-3-6-15-10-11(13-14-15)4-2-5-12/h10H,2-9H2,1H3
InChIKeyFWOIKBRVGHENAI-UHFFFAOYSA-N
XLogP1.50
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-methoxyethyl)-4-(4-propoxybutyl)triazole
CID 146355749
4-butyl-1-[4-(2-iodoethoxy)butyl]triazole
CID 177149820
4-(3-chloropropyl)-1-(4-phenylbutyl)triazole
CID 114334578
ethane;4-(4-methoxybutyl)-1-(4-methylpentyl)triazole
CID 155739820
1-[2-(2-ethoxyethoxy)ethyl]-4-pentyltriazole
CID 167478835
4-(1-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]triazole
CID 103412254
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]propanoate
CID 58408691
4-(3,3-dimethylbutyl)-1-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]triazole
CID 170092527

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole?
The IUPAC name of 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole (CID 103412253) is 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole.
What is the SMILES notation for 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole?
The canonical SMILES for 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole is COCCOCCCn1cc(CCCCl)nn1.
What is the InChIKey of 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole?
The InChIKey is FWOIKBRVGHENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3O2/c1-16-8-9-17-7-3-6-15-10-11(13-14-15)4-2-5-12/h10H,2-9H2,1H3.
What are the key properties of 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole?
4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole has a molecular weight of 261.75 g/mol, XLogP of 1.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]triazole is sourced from PubChem (CID 103412253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).