2-cyano-2-hydrazinylacetic acid

C3H5N3O2 — CID 151714867

IUPAC2-cyano-2-hydrazinylacetic acid
SMILESN#CC(NN)C(=O)O
InChIInChI=1S/C3H5N3O2/c4-1-2(6-5)3(7)8/h2,6H,5H2,(H,7,8)
InChIKeyRHIISIGJEWUJAW-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.57
Rot. Bonds2

About 2-cyano-2-hydrazinylacetic acid

2-cyano-2-hydrazinylacetic acid (PubChem CID 151714867) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 2-cyano-2-hydrazinylacetic acid.

Molecular Properties

Compound Name2-cyano-2-hydrazinylacetic acid
PubChem CID151714867
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name2-cyano-2-hydrazinylacetic acid
SMILESN#CC(NN)C(=O)O
InChIInChI=1S/C3H5N3O2/c4-1-2(6-5)3(7)8/h2,6H,5H2,(H,7,8)
InChIKeyRHIISIGJEWUJAW-UHFFFAOYSA-N
XLogP-1.57
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.57
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 2-cyano-2-hydrazinylacetic acid?
The IUPAC name of 2-cyano-2-hydrazinylacetic acid (CID 151714867) is 2-cyano-2-hydrazinylacetic acid.
What is the SMILES notation for 2-cyano-2-hydrazinylacetic acid?
The canonical SMILES for 2-cyano-2-hydrazinylacetic acid is N#CC(NN)C(=O)O.
What is the InChIKey of 2-cyano-2-hydrazinylacetic acid?
The InChIKey is RHIISIGJEWUJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-1-2(6-5)3(7)8/h2,6H,5H2,(H,7,8).
What are the key properties of 2-cyano-2-hydrazinylacetic acid?
2-cyano-2-hydrazinylacetic acid has a molecular weight of 115.09 g/mol, XLogP of -1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-hydrazinylacetic acid is sourced from PubChem (CID 151714867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).