1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline

C13H14N4O3 — CID 73387956

IUPAC1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline
SMILESCOc1cc(OC)c2nnc3c(c(OC)nn3C)c2c1
InChIInChI=1S/C13H14N4O3/c1-17-12-10(13(16-17)20-4)8-5-7(18-2)6-9(19-3)11(8)14-15-12/h5-6H,1-4H3
InChIKeyLKWUNSBKNMTAPZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.54
Rot. Bonds3

About 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline

1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline (PubChem CID 73387956) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline.

Molecular Properties

Compound Name1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline
PubChem CID73387956
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline
SMILESCOc1cc(OC)c2nnc3c(c(OC)nn3C)c2c1
InChIInChI=1S/C13H14N4O3/c1-17-12-10(13(16-17)20-4)8-5-7(18-2)6-9(19-3)11(8)14-15-12/h5-6H,1-4H3
InChIKeyLKWUNSBKNMTAPZ-UHFFFAOYSA-N
XLogP1.54
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline 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 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline?
The IUPAC name of 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline (CID 73387956) is 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline.
What is the SMILES notation for 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline?
The canonical SMILES for 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline is COc1cc(OC)c2nnc3c(c(OC)nn3C)c2c1.
What is the InChIKey of 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline?
The InChIKey is LKWUNSBKNMTAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-12-10(13(16-17)20-4)8-5-7(18-2)6-9(19-3)11(8)14-15-12/h5-6H,1-4H3.
What are the key properties of 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline?
1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline has a molecular weight of 274.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline is sourced from PubChem (CID 73387956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).