5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine

C9H12N4 — CID 118012662

IUPAC5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine
SMILESCC(C)(C)c1cnc2[nH]ncc2n1
InChIInChI=1S/C9H12N4/c1-9(2,3)7-5-10-8-6(12-7)4-11-13-8/h4-5H,1-3H3,(H,10,11,13)
InChIKeyBOTJBQFIENTLKA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.65
Rot. Bonds

About 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine

5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine (PubChem CID 118012662) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine
PubChem CID118012662
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine
SMILESCC(C)(C)c1cnc2[nH]ncc2n1
InChIInChI=1S/C9H12N4/c1-9(2,3)7-5-10-8-6(12-7)4-11-13-8/h4-5H,1-3H3,(H,10,11,13)
InChIKeyBOTJBQFIENTLKA-UHFFFAOYSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine (CID 118012662) is 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine is CC(C)(C)c1cnc2[nH]ncc2n1.
What is the InChIKey of 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine?
The InChIKey is BOTJBQFIENTLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(2,3)7-5-10-8-6(12-7)4-11-13-8/h4-5H,1-3H3,(H,10,11,13).
What are the key properties of 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine?
5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 176.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 118012662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).