1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one

C11H18N4O — CID 79288918

IUPAC1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCc1nn(C)c2c1NC(=O)CN2CC(C)C
InChIInChI=1S/C11H18N4O/c1-7(2)5-15-6-9(16)12-10-8(3)13-14(4)11(10)15/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyZZAKDQUTURXUAF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.14
Rot. Bonds2

About 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one

1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (PubChem CID 79288918) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
PubChem CID79288918
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCc1nn(C)c2c1NC(=O)CN2CC(C)C
InChIInChI=1S/C11H18N4O/c1-7(2)5-15-6-9(16)12-10-8(3)13-14(4)11(10)15/h7H,5-6H2,1-4H3,(H,12,16)
InChIKeyZZAKDQUTURXUAF-UHFFFAOYSA-N
XLogP1.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one 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 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (CID 79288918) is 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is Cc1nn(C)c2c1NC(=O)CN2CC(C)C.
What is the InChIKey of 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is ZZAKDQUTURXUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)5-15-6-9(16)12-10-8(3)13-14(4)11(10)15/h7H,5-6H2,1-4H3,(H,12,16).
What are the key properties of 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 222.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(2-methylpropyl)-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 79288918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).