6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C8H8N4O2 — CID 82402977

IUPAC6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC1C2C(=O)N(c3cn[nH]c3)C(=O)C12
InChIInChI=1S/C8H8N4O2/c9-6-4-5(6)8(14)12(7(4)13)3-1-10-11-2-3/h1-2,4-6H,9H2,(H,10,11)
InChIKeyHFQCIMYELBJFGO-UHFFFAOYSA-N
MW192.18 g/mol
LogP-1.14
Rot. Bonds1

About 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 82402977) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID82402977
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC1C2C(=O)N(c3cn[nH]c3)C(=O)C12
InChIInChI=1S/C8H8N4O2/c9-6-4-5(6)8(14)12(7(4)13)3-1-10-11-2-3/h1-2,4-6H,9H2,(H,10,11)
InChIKeyHFQCIMYELBJFGO-UHFFFAOYSA-N
XLogP-1.14
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 82402977) is 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is NC1C2C(=O)N(c3cn[nH]c3)C(=O)C12.
What is the InChIKey of 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is HFQCIMYELBJFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-6-4-5(6)8(14)12(7(4)13)3-1-10-11-2-3/h1-2,4-6H,9H2,(H,10,11).
What are the key properties of 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 192.18 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 82402977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).