2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C13H16N4O2 — CID 114513972

IUPAC2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNNc1cccc(CN2C(=O)C3CCCC3C2=O)n1
InChIInChI=1S/C13H16N4O2/c14-16-11-6-1-3-8(15-11)7-17-12(18)9-4-2-5-10(9)13(17)19/h1,3,6,9-10H,2,4-5,7,14H2,(H,15,16)
InChIKeyAXQYYCWKPMBSRX-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.65
Rot. Bonds3

About 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114513972) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114513972
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNNc1cccc(CN2C(=O)C3CCCC3C2=O)n1
InChIInChI=1S/C13H16N4O2/c14-16-11-6-1-3-8(15-11)7-17-12(18)9-4-2-5-10(9)13(17)19/h1,3,6,9-10H,2,4-5,7,14H2,(H,15,16)
InChIKeyAXQYYCWKPMBSRX-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
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 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-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 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114513972) is 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is NNc1cccc(CN2C(=O)C3CCCC3C2=O)n1.
What is the InChIKey of 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is AXQYYCWKPMBSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-16-11-6-1-3-8(15-11)7-17-12(18)9-4-2-5-10(9)13(17)19/h1,3,6,9-10H,2,4-5,7,14H2,(H,15,16).
What are the key properties of 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 260.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-2-pyridinyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114513972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).