5-pentoxy-2H-benzotriazole

C11H15N3O — CID 19755975

IUPAC5-pentoxy-2H-benzotriazole
SMILESCCCCCOc1ccc2n[nH]nc2c1
InChIInChI=1S/C11H15N3O/c1-2-3-4-7-15-9-5-6-10-11(8-9)13-14-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13,14)
InChIKeyQOLSSJHPZVQWFE-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.53
Rot. Bonds5

About 5-pentoxy-2H-benzotriazole

5-pentoxy-2H-benzotriazole (PubChem CID 19755975) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-pentoxy-2H-benzotriazole.

Molecular Properties

Compound Name5-pentoxy-2H-benzotriazole
PubChem CID19755975
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-pentoxy-2H-benzotriazole
SMILESCCCCCOc1ccc2n[nH]nc2c1
InChIInChI=1S/C11H15N3O/c1-2-3-4-7-15-9-5-6-10-11(8-9)13-14-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13,14)
InChIKeyQOLSSJHPZVQWFE-UHFFFAOYSA-N
XLogP2.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pentoxy-2H-benzotriazole?
The IUPAC name of 5-pentoxy-2H-benzotriazole (CID 19755975) is 5-pentoxy-2H-benzotriazole.
What is the SMILES notation for 5-pentoxy-2H-benzotriazole?
The canonical SMILES for 5-pentoxy-2H-benzotriazole is CCCCCOc1ccc2n[nH]nc2c1.
What is the InChIKey of 5-pentoxy-2H-benzotriazole?
The InChIKey is QOLSSJHPZVQWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-4-7-15-9-5-6-10-11(8-9)13-14-12-10/h5-6,8H,2-4,7H2,1H3,(H,12,13,14).
What are the key properties of 5-pentoxy-2H-benzotriazole?
5-pentoxy-2H-benzotriazole has a molecular weight of 205.26 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-2H-benzotriazole is sourced from PubChem (CID 19755975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).