N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide

C15H13N5O2 — CID 856380

IUPACN'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1nnc2ccccc21)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13N5O2/c21-14(17-18-15(22)11-6-2-1-3-7-11)10-20-13-9-5-4-8-12(13)16-19-20/h1-9H,10H2,(H,17,21)(H,18,22)
InChIKeyVWJQLTCQERIYRR-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.89
Rot. Bonds3

About N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide

N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide (PubChem CID 856380) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide
PubChem CID856380
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC NameN'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide
SMILESO=C(Cn1nnc2ccccc21)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13N5O2/c21-14(17-18-15(22)11-6-2-1-3-7-11)10-20-13-9-5-4-8-12(13)16-19-20/h1-9H,10H2,(H,17,21)(H,18,22)
InChIKeyVWJQLTCQERIYRR-UHFFFAOYSA-N
XLogP0.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide (CID 856380) is N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide is O=C(Cn1nnc2ccccc21)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide?
The InChIKey is VWJQLTCQERIYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14(17-18-15(22)11-6-2-1-3-7-11)10-20-13-9-5-4-8-12(13)16-19-20/h1-9H,10H2,(H,17,21)(H,18,22).
What are the key properties of N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide?
N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide has a molecular weight of 295.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzotriazol-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 856380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).