3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine

C12H16N4O — CID 130336540

IUPAC3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
SMILESCc1cnc2c(n1)c(C)nn2C1CCCCO1
InChIInChI=1S/C12H16N4O/c1-8-7-13-12-11(14-8)9(2)15-16(12)10-5-3-4-6-17-10/h7,10H,3-6H2,1-2H3
InChIKeyFVHZAUGANUTEFS-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.14
Rot. Bonds1

About 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine

3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine (PubChem CID 130336540) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
PubChem CID130336540
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
SMILESCc1cnc2c(n1)c(C)nn2C1CCCCO1
InChIInChI=1S/C12H16N4O/c1-8-7-13-12-11(14-8)9(2)15-16(12)10-5-3-4-6-17-10/h7,10H,3-6H2,1-2H3
InChIKeyFVHZAUGANUTEFS-UHFFFAOYSA-N
XLogP2.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine (CID 130336540) is 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine is Cc1cnc2c(n1)c(C)nn2C1CCCCO1.
What is the InChIKey of 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
The InChIKey is FVHZAUGANUTEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-7-13-12-11(14-8)9(2)15-16(12)10-5-3-4-6-17-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine?
3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine has a molecular weight of 232.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 130336540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).