6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C7H9N5O — CID 135403384

IUPAC6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c1-12(2)7-9-5-4(3-8-11-5)6(13)10-7/h3H,1-2H3,(H2,8,9,10,11,13)
InChIKeyQLCHWMXKQWIKKA-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.29
Rot. Bonds1

About 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135403384) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135403384
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(C)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C7H9N5O/c1-12(2)7-9-5-4(3-8-11-5)6(13)10-7/h3H,1-2H3,(H2,8,9,10,11,13)
InChIKeyQLCHWMXKQWIKKA-UHFFFAOYSA-N
XLogP-0.29
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135403384) is 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CN(C)c1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QLCHWMXKQWIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12(2)7-9-5-4(3-8-11-5)6(13)10-7/h3H,1-2H3,(H2,8,9,10,11,13).
What are the key properties of 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135403384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).