3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine

C11H16N4 — CID 138701227

IUPAC3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCC(C)c1cnc2n[nH]c(C(C)C)c2n1
InChIInChI=1S/C11H16N4/c1-6(2)8-5-12-11-10(13-8)9(7(3)4)14-15-11/h5-7H,1-4H3,(H,12,14,15)
InChIKeyIYRLPSFCFOGMPK-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.60
Rot. Bonds2

About 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine

3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 138701227) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID138701227
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCC(C)c1cnc2n[nH]c(C(C)C)c2n1
InChIInChI=1S/C11H16N4/c1-6(2)8-5-12-11-10(13-8)9(7(3)4)14-15-11/h5-7H,1-4H3,(H,12,14,15)
InChIKeyIYRLPSFCFOGMPK-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 138701227) is 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine is CC(C)c1cnc2n[nH]c(C(C)C)c2n1.
What is the InChIKey of 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is IYRLPSFCFOGMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-6(2)8-5-12-11-10(13-8)9(7(3)4)14-15-11/h5-7H,1-4H3,(H,12,14,15).
What are the key properties of 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 204.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 138701227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).