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

C9H10F3N5O — CID 137272170

IUPAC6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(CCC(F)(F)F)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C9H10F3N5O/c1-17(3-2-9(10,11)12)8-14-6-5(4-13-16-6)7(18)15-8/h4H,2-3H2,1H3,(H2,13,14,15,16,18)
InChIKeyZNHWPGMDVOFVGD-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.03
Rot. Bonds3

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

6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137272170) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137272170
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(CCC(F)(F)F)c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C9H10F3N5O/c1-17(3-2-9(10,11)12)8-14-6-5(4-13-16-6)7(18)15-8/h4H,2-3H2,1H3,(H2,13,14,15,16,18)
InChIKeyZNHWPGMDVOFVGD-UHFFFAOYSA-N
XLogP1.03
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137272170) is 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CN(CCC(F)(F)F)c1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZNHWPGMDVOFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-17(3-2-9(10,11)12)8-14-6-5(4-13-16-6)7(18)15-8/h4H,2-3H2,1H3,(H2,13,14,15,16,18).
What are the key properties of 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 261.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(3,3,3-trifluoropropyl)amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137272170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).