3-(benzotriazol-1-yl)propanehydrazide

C9H11N5O — CID 949773

IUPAC3-(benzotriazol-1-yl)propanehydrazide
SMILESNNC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C9H11N5O/c10-11-9(15)5-6-14-8-4-2-1-3-7(8)12-13-14/h1-4H,5-6,10H2,(H,11,15)
InChIKeyOYDIPGBEMNGVDQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.19
Rot. Bonds3

About 3-(benzotriazol-1-yl)propanehydrazide

3-(benzotriazol-1-yl)propanehydrazide (PubChem CID 949773) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)propanehydrazide
PubChem CID949773
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name3-(benzotriazol-1-yl)propanehydrazide
SMILESNNC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C9H11N5O/c10-11-9(15)5-6-14-8-4-2-1-3-7(8)12-13-14/h1-4H,5-6,10H2,(H,11,15)
InChIKeyOYDIPGBEMNGVDQ-UHFFFAOYSA-N
XLogP-0.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.19
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 3-(benzotriazol-1-yl)propanehydrazide?
The IUPAC name of 3-(benzotriazol-1-yl)propanehydrazide (CID 949773) is 3-(benzotriazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(benzotriazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(benzotriazol-1-yl)propanehydrazide is NNC(=O)CCn1nnc2ccccc21.
What is the InChIKey of 3-(benzotriazol-1-yl)propanehydrazide?
The InChIKey is OYDIPGBEMNGVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-11-9(15)5-6-14-8-4-2-1-3-7(8)12-13-14/h1-4H,5-6,10H2,(H,11,15).
What are the key properties of 3-(benzotriazol-1-yl)propanehydrazide?
3-(benzotriazol-1-yl)propanehydrazide has a molecular weight of 205.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)propanehydrazide is sourced from PubChem (CID 949773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).