1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione

C8H8N4O2 — CID 6921296

IUPAC1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESO=c1[nH][nH]c2c1Cc1[nH][nH]c(=O)c1C2
InChIInChI=1S/C8H8N4O2/c13-7-3-1-5-4(8(14)12-9-5)2-6(3)10-11-7/h1-2H2,(H2,9,12,14)(H2,10,11,13)
InChIKeyPWSIVGONPIIKKP-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.79
Rot. Bonds

About 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione

1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione (PubChem CID 6921296) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione.

Molecular Properties

Compound Name1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione
PubChem CID6921296
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESO=c1[nH][nH]c2c1Cc1[nH][nH]c(=O)c1C2
InChIInChI=1S/C8H8N4O2/c13-7-3-1-5-4(8(14)12-9-5)2-6(3)10-11-7/h1-2H2,(H2,9,12,14)(H2,10,11,13)
InChIKeyPWSIVGONPIIKKP-UHFFFAOYSA-N
XLogP-0.79
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-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 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
The IUPAC name of 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione (CID 6921296) is 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione.
What is the SMILES notation for 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
The canonical SMILES for 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione is O=c1[nH][nH]c2c1Cc1[nH][nH]c(=O)c1C2.
What is the InChIKey of 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
The InChIKey is PWSIVGONPIIKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-7-3-1-5-4(8(14)12-9-5)2-6(3)10-11-7/h1-2H2,(H2,9,12,14)(H2,10,11,13).
What are the key properties of 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione has a molecular weight of 192.18 g/mol, XLogP of -0.79, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione is sourced from PubChem (CID 6921296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).