5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine

C10H13BrN4 — CID 59995691

IUPAC5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine
SMILESCc1nc2c(nc1Br)c(C)nn2C(C)C
InChIInChI=1S/C10H13BrN4/c1-5(2)15-10-8(6(3)14-15)13-9(11)7(4)12-10/h5H,1-4H3
InChIKeyLTBJXVMZGBOLDO-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.79
Rot. Bonds1

About 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine

5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine (PubChem CID 59995691) has the molecular formula C10H13BrN4 and a molecular weight of 269.15 g/mol. Its IUPAC name is 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine
PubChem CID59995691
Molecular FormulaC10H13BrN4
Molecular Weight269.15 g/mol
Exact Mass268.03
IUPAC Name5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine
SMILESCc1nc2c(nc1Br)c(C)nn2C(C)C
InChIInChI=1S/C10H13BrN4/c1-5(2)15-10-8(6(3)14-15)13-9(11)7(4)12-10/h5H,1-4H3
InChIKeyLTBJXVMZGBOLDO-UHFFFAOYSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine (CID 59995691) is 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine is Cc1nc2c(nc1Br)c(C)nn2C(C)C.
What is the InChIKey of 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is LTBJXVMZGBOLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4/c1-5(2)15-10-8(6(3)14-15)13-9(11)7(4)12-10/h5H,1-4H3.
What are the key properties of 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine?
5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 269.15 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 59995691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).