6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C9H9F2N5O — CID 137181879

IUPAC6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CC(F)(F)C2)nc2[nH]ncc12
InChIInChI=1S/C9H9F2N5O/c10-9(11)1-4(2-9)13-8-14-6-5(3-12-16-6)7(17)15-8/h3-4H,1-2H2,(H3,12,13,14,15,16,17)
InChIKeyQGFBEPHRQYVHHX-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.86
Rot. Bonds2

About 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137181879) has the molecular formula C9H9F2N5O and a molecular weight of 241.20 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137181879
Molecular FormulaC9H9F2N5O
Molecular Weight241.20 g/mol
Exact Mass241.08
IUPAC Name6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CC(F)(F)C2)nc2[nH]ncc12
InChIInChI=1S/C9H9F2N5O/c10-9(11)1-4(2-9)13-8-14-6-5(3-12-16-6)7(17)15-8/h3-4H,1-2H2,(H3,12,13,14,15,16,17)
InChIKeyQGFBEPHRQYVHHX-UHFFFAOYSA-N
XLogP0.86
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137181879) is 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NC2CC(F)(F)C2)nc2[nH]ncc12.
What is the InChIKey of 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QGFBEPHRQYVHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5O/c10-9(11)1-4(2-9)13-8-14-6-5(3-12-16-6)7(17)15-8/h3-4H,1-2H2,(H3,12,13,14,15,16,17).
What are the key properties of 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 241.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclobutyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137181879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).