5-hydrazinyl-2-(hydroxymethyl)benzonitrile

C8H9N3O — CID 118807677

IUPAC5-hydrazinyl-2-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(NN)ccc1CO
InChIInChI=1S/C8H9N3O/c9-4-7-3-8(11-10)2-1-6(7)5-12/h1-3,11-12H,5,10H2
InChIKeyAJRQZPCPCAKHOK-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.34
Rot. Bonds2

About 5-hydrazinyl-2-(hydroxymethyl)benzonitrile

5-hydrazinyl-2-(hydroxymethyl)benzonitrile (PubChem CID 118807677) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-hydrazinyl-2-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name5-hydrazinyl-2-(hydroxymethyl)benzonitrile
PubChem CID118807677
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-hydrazinyl-2-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(NN)ccc1CO
InChIInChI=1S/C8H9N3O/c9-4-7-3-8(11-10)2-1-6(7)5-12/h1-3,11-12H,5,10H2
InChIKeyAJRQZPCPCAKHOK-UHFFFAOYSA-N
XLogP0.34
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 5-hydrazinyl-2-(hydroxymethyl)benzonitrile?
The IUPAC name of 5-hydrazinyl-2-(hydroxymethyl)benzonitrile (CID 118807677) is 5-hydrazinyl-2-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 5-hydrazinyl-2-(hydroxymethyl)benzonitrile?
The canonical SMILES for 5-hydrazinyl-2-(hydroxymethyl)benzonitrile is N#Cc1cc(NN)ccc1CO.
What is the InChIKey of 5-hydrazinyl-2-(hydroxymethyl)benzonitrile?
The InChIKey is AJRQZPCPCAKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-4-7-3-8(11-10)2-1-6(7)5-12/h1-3,11-12H,5,10H2.
What are the key properties of 5-hydrazinyl-2-(hydroxymethyl)benzonitrile?
5-hydrazinyl-2-(hydroxymethyl)benzonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 118807677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).