3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

C8H8F3N5O2 — CID 135702351

IUPAC3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESNc1c2c(=O)[nH]c(C(F)(F)F)nc2nn1CCO
InChIInChI=1S/C8H8F3N5O2/c9-8(10,11)7-13-5-3(6(18)14-7)4(12)16(15-5)1-2-17/h17H,1-2,12H2,(H,13,14,15,18)
InChIKeyHGVJPGMPNALVAV-UHFFFAOYSA-N
MW263.18 g/mol
LogP-0.29
Rot. Bonds2

About 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one

3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135702351) has the molecular formula C8H8F3N5O2 and a molecular weight of 263.18 g/mol. Its IUPAC name is 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135702351
Molecular FormulaC8H8F3N5O2
Molecular Weight263.18 g/mol
Exact Mass263.06
IUPAC Name3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESNc1c2c(=O)[nH]c(C(F)(F)F)nc2nn1CCO
InChIInChI=1S/C8H8F3N5O2/c9-8(10,11)7-13-5-3(6(18)14-7)4(12)16(15-5)1-2-17/h17H,1-2,12H2,(H,13,14,15,18)
InChIKeyHGVJPGMPNALVAV-UHFFFAOYSA-N
XLogP-0.29
TPSA109.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-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 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135702351) is 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is Nc1c2c(=O)[nH]c(C(F)(F)F)nc2nn1CCO.
What is the InChIKey of 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is HGVJPGMPNALVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O2/c9-8(10,11)7-13-5-3(6(18)14-7)4(12)16(15-5)1-2-17/h17H,1-2,12H2,(H,13,14,15,18).
What are the key properties of 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one?
3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 263.18 g/mol, XLogP of -0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-hydroxyethyl)-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135702351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).