6-chloro-1-(3-methoxypropoxy)benzotriazole

C10H12ClN3O2 — CID 75522050

IUPAC6-chloro-1-(3-methoxypropoxy)benzotriazole
SMILESCOCCCOn1nnc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN3O2/c1-15-5-2-6-16-14-10-7-8(11)3-4-9(10)12-13-14/h3-4,7H,2,5-6H2,1H3
InChIKeyGZZKJUABRYYEFS-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.55
Rot. Bonds5

About 6-chloro-1-(3-methoxypropoxy)benzotriazole

6-chloro-1-(3-methoxypropoxy)benzotriazole (PubChem CID 75522050) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-1-(3-methoxypropoxy)benzotriazole.

Molecular Properties

Compound Name6-chloro-1-(3-methoxypropoxy)benzotriazole
PubChem CID75522050
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-1-(3-methoxypropoxy)benzotriazole
SMILESCOCCCOn1nnc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClN3O2/c1-15-5-2-6-16-14-10-7-8(11)3-4-9(10)12-13-14/h3-4,7H,2,5-6H2,1H3
InChIKeyGZZKJUABRYYEFS-UHFFFAOYSA-N
XLogP1.55
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.55
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

6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole
CID 7696637
1-[2-[2-(6-chlorobenzotriazol-1-yl)oxyethoxy]phenyl]ethanone
CID 26054847
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]benzonitrile
CID 7686868
6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole
CID 7919256
2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 4669415
2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 9354749
2-[6-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308639
2-(6-chlorobenzotriazol-1-yl)oxy-N-cyclohexyl-N-methylacetamide
CID 18076947
2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide
CID 7697148

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-methoxypropoxy)benzotriazole?
The IUPAC name of 6-chloro-1-(3-methoxypropoxy)benzotriazole (CID 75522050) is 6-chloro-1-(3-methoxypropoxy)benzotriazole.
What is the SMILES notation for 6-chloro-1-(3-methoxypropoxy)benzotriazole?
The canonical SMILES for 6-chloro-1-(3-methoxypropoxy)benzotriazole is COCCCOn1nnc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(3-methoxypropoxy)benzotriazole?
The InChIKey is GZZKJUABRYYEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-15-5-2-6-16-14-10-7-8(11)3-4-9(10)12-13-14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 6-chloro-1-(3-methoxypropoxy)benzotriazole?
6-chloro-1-(3-methoxypropoxy)benzotriazole has a molecular weight of 241.68 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-methoxypropoxy)benzotriazole is sourced from PubChem (CID 75522050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).