3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

C11H17N5O — CID 152749247

IUPAC3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)N1NC(N2CCC2)c2nc[nH]c(=O)c21
InChIInChI=1S/C11H17N5O/c1-7(2)16-9-8(12-6-13-11(9)17)10(14-16)15-4-3-5-15/h6-7,10,14H,3-5H2,1-2H3,(H,12,13,17)
InChIKeyPPIBGCWRDWHQDZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.21
Rot. Bonds2

About 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 152749247) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID152749247
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)N1NC(N2CCC2)c2nc[nH]c(=O)c21
InChIInChI=1S/C11H17N5O/c1-7(2)16-9-8(12-6-13-11(9)17)10(14-16)15-4-3-5-15/h6-7,10,14H,3-5H2,1-2H3,(H,12,13,17)
InChIKeyPPIBGCWRDWHQDZ-UHFFFAOYSA-N
XLogP0.21
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one (CID 152749247) is 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one is CC(C)N1NC(N2CCC2)c2nc[nH]c(=O)c21.
What is the InChIKey of 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is PPIBGCWRDWHQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7(2)16-9-8(12-6-13-11(9)17)10(14-16)15-4-3-5-15/h6-7,10,14H,3-5H2,1-2H3,(H,12,13,17).
What are the key properties of 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one?
3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 235.29 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 152749247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).