3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C13H16N4O2 — CID 64830825

IUPAC3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(Cc3ccc(NN)nc3)C(=O)C21
InChIInChI=1S/C13H16N4O2/c1-13(2)9-10(13)12(19)17(11(9)18)6-7-3-4-8(16-14)15-5-7/h3-5,9-10H,6,14H2,1-2H3,(H,15,16)
InChIKeyWRAUCEAUVRVIFC-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.51
Rot. Bonds3

About 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64830825) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64830825
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(Cc3ccc(NN)nc3)C(=O)C21
InChIInChI=1S/C13H16N4O2/c1-13(2)9-10(13)12(19)17(11(9)18)6-7-3-4-8(16-14)15-5-7/h3-5,9-10H,6,14H2,1-2H3,(H,15,16)
InChIKeyWRAUCEAUVRVIFC-UHFFFAOYSA-N
XLogP0.51
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64830825) is 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(Cc3ccc(NN)nc3)C(=O)C21.
What is the InChIKey of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is WRAUCEAUVRVIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2)9-10(13)12(19)17(11(9)18)6-7-3-4-8(16-14)15-5-7/h3-5,9-10H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 260.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64830825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).