3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one

C12H20N4O — CID 79300576

IUPAC3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)C(C)(C)N2CC
InChIInChI=1S/C12H20N4O/c1-6-8-9-10(15(5)14-8)16(7-2)12(3,4)11(17)13-9/h6-7H2,1-5H3,(H,13,17)
InChIKeySGPMEHRSGWVBNN-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds2

About 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one

3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one (PubChem CID 79300576) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one
PubChem CID79300576
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCCc1nn(C)c2c1NC(=O)C(C)(C)N2CC
InChIInChI=1S/C12H20N4O/c1-6-8-9-10(15(5)14-8)16(7-2)12(3,4)11(17)13-9/h6-7H2,1-5H3,(H,13,17)
InChIKeySGPMEHRSGWVBNN-UHFFFAOYSA-N
XLogP1.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one (CID 79300576) is 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one is CCc1nn(C)c2c1NC(=O)C(C)(C)N2CC.
What is the InChIKey of 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is SGPMEHRSGWVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-6-8-9-10(15(5)14-8)16(7-2)12(3,4)11(17)13-9/h6-7H2,1-5H3,(H,13,17).
What are the key properties of 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one?
3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 236.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 79300576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).