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

C12H16N4O2 — CID 118311270

IUPAC2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESCCn1[nH]c2c(c1=O)Cc1[nH]n(CC)c(=O)c1C2
InChIInChI=1S/C12H16N4O2/c1-3-15-11(17)7-5-10-8(6-9(7)13-15)12(18)16(4-2)14-10/h13-14H,3-6H2,1-2H3
InChIKeyNKNVYYRNUIKJEN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.20
Rot. Bonds2

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

2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione (PubChem CID 118311270) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione.

Molecular Properties

Compound Name2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
PubChem CID118311270
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESCCn1[nH]c2c(c1=O)Cc1[nH]n(CC)c(=O)c1C2
InChIInChI=1S/C12H16N4O2/c1-3-15-11(17)7-5-10-8(6-9(7)13-15)12(18)16(4-2)14-10/h13-14H,3-6H2,1-2H3
InChIKeyNKNVYYRNUIKJEN-UHFFFAOYSA-N
XLogP0.20
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The IUPAC name of 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione (CID 118311270) is 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione.
What is the SMILES notation for 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The canonical SMILES for 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione is CCn1[nH]c2c(c1=O)Cc1[nH]n(CC)c(=O)c1C2.
What is the InChIKey of 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The InChIKey is NKNVYYRNUIKJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-15-11(17)7-5-10-8(6-9(7)13-15)12(18)16(4-2)14-10/h13-14H,3-6H2,1-2H3.
What are the key properties of 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione has a molecular weight of 248.29 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione is sourced from PubChem (CID 118311270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).