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

C16H24N4O2 — CID 118311256

IUPAC2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESCCCCn1[nH]c2c(c1=O)Cc1[nH]n(CCCC)c(=O)c1C2
InChIInChI=1S/C16H24N4O2/c1-3-5-7-19-15(21)11-9-14-12(10-13(11)17-19)16(22)20(18-14)8-6-4-2/h17-18H,3-10H2,1-2H3
InChIKeyRNUWXRAUHXZVON-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.76
Rot. Bonds6

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

2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione (PubChem CID 118311256) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione.

Molecular Properties

Compound Name2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
PubChem CID118311256
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESCCCCn1[nH]c2c(c1=O)Cc1[nH]n(CCCC)c(=O)c1C2
InChIInChI=1S/C16H24N4O2/c1-3-5-7-19-15(21)11-9-14-12(10-13(11)17-19)16(22)20(18-14)8-6-4-2/h17-18H,3-10H2,1-2H3
InChIKeyRNUWXRAUHXZVON-UHFFFAOYSA-N
XLogP1.76
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The IUPAC name of 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione (CID 118311256) is 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione.
What is the SMILES notation for 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The canonical SMILES for 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione is CCCCn1[nH]c2c(c1=O)Cc1[nH]n(CCCC)c(=O)c1C2.
What is the InChIKey of 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The InChIKey is RNUWXRAUHXZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-5-7-19-15(21)11-9-14-12(10-13(11)17-19)16(22)20(18-14)8-6-4-2/h17-18H,3-10H2,1-2H3.
What are the key properties of 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione has a molecular weight of 304.39 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione is sourced from PubChem (CID 118311256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).