3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

C13H13N7 — CID 95845663

IUPAC3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1nccc(N2CC(c3[nH]nc4nccnc34)C2)n1
InChIInChI=1S/C13H13N7/c1-8-14-3-2-10(17-8)20-6-9(7-20)11-12-13(19-18-11)16-5-4-15-12/h2-5,9H,6-7H2,1H3,(H,16,18,19)
InChIKeyWGIPBWLYVPCPGY-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.06
Rot. Bonds2

About 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 95845663) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID95845663
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1nccc(N2CC(c3[nH]nc4nccnc34)C2)n1
InChIInChI=1S/C13H13N7/c1-8-14-3-2-10(17-8)20-6-9(7-20)11-12-13(19-18-11)16-5-4-15-12/h2-5,9H,6-7H2,1H3,(H,16,18,19)
InChIKeyWGIPBWLYVPCPGY-UHFFFAOYSA-N
XLogP1.06
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 95845663) is 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is Cc1nccc(N2CC(c3[nH]nc4nccnc34)C2)n1.
What is the InChIKey of 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is WGIPBWLYVPCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-8-14-3-2-10(17-8)20-6-9(7-20)11-12-13(19-18-11)16-5-4-15-12/h2-5,9H,6-7H2,1H3,(H,16,18,19).
What are the key properties of 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 267.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95845663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).