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

C8H8N4O2 — CID 542041

IUPAC2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESO=C1NN=C2CC3C(=O)NN=C3CC12
InChIInChI=1S/C8H8N4O2/c13-7-3-1-5-4(8(14)12-9-5)2-6(3)10-11-7/h3-4H,1-2H2,(H,11,13)(H,12,14)
InChIKeyNHOHLDKHVNYYAL-UHFFFAOYSA-N
MW192.18 g/mol
LogP-1.02
Rot. Bonds

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

2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione (PubChem CID 542041) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione.

Molecular Properties

Compound Name2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione
PubChem CID542041
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESO=C1NN=C2CC3C(=O)NN=C3CC12
InChIInChI=1S/C8H8N4O2/c13-7-3-1-5-4(8(14)12-9-5)2-6(3)10-11-7/h3-4H,1-2H2,(H,11,13)(H,12,14)
InChIKeyNHOHLDKHVNYYAL-UHFFFAOYSA-N
XLogP-1.02
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
The IUPAC name of 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione (CID 542041) is 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione.
What is the SMILES notation for 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
The canonical SMILES for 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione is O=C1NN=C2CC3C(=O)NN=C3CC12.
What is the InChIKey of 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
The InChIKey is NHOHLDKHVNYYAL-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/h3-4H,1-2H2,(H,11,13)(H,12,14).
What are the key properties of 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione?
2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione has a molecular weight of 192.18 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,4,6,7a,8-hexahydropyrazolo[3,4-f]indazole-3,7-dione is sourced from PubChem (CID 542041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).