2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone

C13H18N6O — CID 95845775

IUPAC2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CC(c2nn(C)c3nccnc23)C1
InChIInChI=1S/C13H18N6O/c1-17(2)8-10(20)19-6-9(7-19)11-12-13(18(3)16-11)15-5-4-14-12/h4-5,9H,6-8H2,1-3H3
InChIKeyFIXMJCHEBBHTQD-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.15
Rot. Bonds3

About 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone

2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone (PubChem CID 95845775) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone
PubChem CID95845775
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CC(c2nn(C)c3nccnc23)C1
InChIInChI=1S/C13H18N6O/c1-17(2)8-10(20)19-6-9(7-19)11-12-13(18(3)16-11)15-5-4-14-12/h4-5,9H,6-8H2,1-3H3
InChIKeyFIXMJCHEBBHTQD-UHFFFAOYSA-N
XLogP-0.15
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone (CID 95845775) is 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone is CN(C)CC(=O)N1CC(c2nn(C)c3nccnc23)C1.
What is the InChIKey of 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone?
The InChIKey is FIXMJCHEBBHTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-17(2)8-10(20)19-6-9(7-19)11-12-13(18(3)16-11)15-5-4-14-12/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone?
2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone has a molecular weight of 274.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 95845775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).