N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride

C11H16ClN5O2 — CID 134150539

IUPACN-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride
SMILESCl.NCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C11H15N5O2.ClH/c12-6-3-7-13-11(17)8-18-16-10-5-2-1-4-9(10)14-15-16;/h1-2,4-5H,3,6-8,12H2,(H,13,17);1H
InChIKeyRHBYTBHORVTAJO-UHFFFAOYSA-N
MW285.73 g/mol
LogP-0.25
Rot. Bonds6

About N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride

N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride (PubChem CID 134150539) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride
PubChem CID134150539
Molecular FormulaC11H16ClN5O2
Molecular Weight285.73 g/mol
Exact Mass285.10
IUPAC NameN-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride
SMILESCl.NCCCNC(=O)COn1nnc2ccccc21
InChIInChI=1S/C11H15N5O2.ClH/c12-6-3-7-13-11(17)8-18-16-10-5-2-1-4-9(10)14-15-16;/h1-2,4-5H,3,6-8,12H2,(H,13,17);1H
InChIKeyRHBYTBHORVTAJO-UHFFFAOYSA-N
XLogP-0.25
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride (CID 134150539) is N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride is Cl.NCCCNC(=O)COn1nnc2ccccc21.
What is the InChIKey of N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride?
The InChIKey is RHBYTBHORVTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2.ClH/c12-6-3-7-13-11(17)8-18-16-10-5-2-1-4-9(10)14-15-16;/h1-2,4-5H,3,6-8,12H2,(H,13,17);1H.
What are the key properties of N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride?
N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride has a molecular weight of 285.73 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(benzotriazol-1-yloxy)acetamide;hydrochloride is sourced from PubChem (CID 134150539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).