3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine

C12H18N4 — CID 59995659

IUPAC3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
SMILESCCC(CC)n1nc(C)c2ncc(C)nc21
InChIInChI=1S/C12H18N4/c1-5-10(6-2)16-12-11(9(4)15-16)13-7-8(3)14-12/h7,10H,5-6H2,1-4H3
InChIKeyUOFCIZJNXQPVRA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.80
Rot. Bonds3

About 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine

3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine (PubChem CID 59995659) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
PubChem CID59995659
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
SMILESCCC(CC)n1nc(C)c2ncc(C)nc21
InChIInChI=1S/C12H18N4/c1-5-10(6-2)16-12-11(9(4)15-16)13-7-8(3)14-12/h7,10H,5-6H2,1-4H3
InChIKeyUOFCIZJNXQPVRA-UHFFFAOYSA-N
XLogP2.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine 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 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine (CID 59995659) is 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine is CCC(CC)n1nc(C)c2ncc(C)nc21.
What is the InChIKey of 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is UOFCIZJNXQPVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-5-10(6-2)16-12-11(9(4)15-16)13-7-8(3)14-12/h7,10H,5-6H2,1-4H3.
What are the key properties of 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 218.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 59995659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).