2-(benzotriazol-1-yl)acetohydrazide

C8H9N5O — CID 3859328

IUPAC2-(benzotriazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C8H9N5O/c9-10-8(14)5-13-7-4-2-1-3-6(7)11-12-13/h1-4H,5,9H2,(H,10,14)
InChIKeyRIQGVMRDCPCXJJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.58
Rot. Bonds2

About 2-(benzotriazol-1-yl)acetohydrazide

2-(benzotriazol-1-yl)acetohydrazide (PubChem CID 3859328) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)acetohydrazide
PubChem CID3859328
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-(benzotriazol-1-yl)acetohydrazide
SMILESNNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C8H9N5O/c9-10-8(14)5-13-7-4-2-1-3-6(7)11-12-13/h1-4H,5,9H2,(H,10,14)
InChIKeyRIQGVMRDCPCXJJ-UHFFFAOYSA-N
XLogP-0.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)acetohydrazide?
The IUPAC name of 2-(benzotriazol-1-yl)acetohydrazide (CID 3859328) is 2-(benzotriazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(benzotriazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(benzotriazol-1-yl)acetohydrazide is NNC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)acetohydrazide?
The InChIKey is RIQGVMRDCPCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c9-10-8(14)5-13-7-4-2-1-3-6(7)11-12-13/h1-4H,5,9H2,(H,10,14).
What are the key properties of 2-(benzotriazol-1-yl)acetohydrazide?
2-(benzotriazol-1-yl)acetohydrazide has a molecular weight of 191.19 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)acetohydrazide is sourced from PubChem (CID 3859328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).