1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole

C17H18N6O — CID 3768632

IUPAC1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
SMILESCCOC(CCn1nnc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C17H18N6O/c1-2-24-17(23-16-10-6-4-8-14(16)19-21-23)11-12-22-15-9-5-3-7-13(15)18-20-22/h3-10,17H,2,11-12H2,1H3
InChIKeyQYLJJQNQFTYUBB-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.80
Rot. Bonds6

About 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole

1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole (PubChem CID 3768632) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole.

Molecular Properties

Compound Name1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
PubChem CID3768632
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
SMILESCCOC(CCn1nnc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C17H18N6O/c1-2-24-17(23-16-10-6-4-8-14(16)19-21-23)11-12-22-15-9-5-3-7-13(15)18-20-22/h3-10,17H,2,11-12H2,1H3
InChIKeyQYLJJQNQFTYUBB-UHFFFAOYSA-N
XLogP2.80
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-ethoxyoctyl)benzotriazole
CID 169096001
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
1-(2,3-dibromo-1-ethoxypropyl)benzotriazole
CID 3794280
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-tridecylbenzotriazole
CID 21059042
1-[ethoxy-(4-methylphenyl)methyl]benzotriazole
CID 3845399
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
silver 1-octylbenzotriazole
CID 19818350
N-[1,3-bis(benzotriazol-1-yl)propyl]benzamide
CID 4564870

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole?
The IUPAC name of 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole (CID 3768632) is 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole.
What is the SMILES notation for 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole?
The canonical SMILES for 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole is CCOC(CCn1nnc2ccccc21)n1nnc2ccccc21.
What is the InChIKey of 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole?
The InChIKey is QYLJJQNQFTYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-24-17(23-16-10-6-4-8-14(16)19-21-23)11-12-22-15-9-5-3-7-13(15)18-20-22/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole?
1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole has a molecular weight of 322.37 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole is sourced from PubChem (CID 3768632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).