6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C13H17F3N6O — CID 137271975

IUPAC6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC2CCN(CC(F)(F)F)CC2)nc2[nH]ncc12
InChIInChI=1S/C13H17F3N6O/c14-13(15,16)7-22-3-1-8(2-4-22)5-17-12-19-10-9(6-18-21-10)11(23)20-12/h6,8H,1-5,7H2,(H3,17,18,19,20,21,23)
InChIKeyBZFLZDIVYVBDCP-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.33
Rot. Bonds4

About 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137271975) has the molecular formula C13H17F3N6O and a molecular weight of 330.31 g/mol. Its IUPAC name is 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137271975
Molecular FormulaC13H17F3N6O
Molecular Weight330.31 g/mol
Exact Mass330.14
IUPAC Name6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCC2CCN(CC(F)(F)F)CC2)nc2[nH]ncc12
InChIInChI=1S/C13H17F3N6O/c14-13(15,16)7-22-3-1-8(2-4-22)5-17-12-19-10-9(6-18-21-10)11(23)20-12/h6,8H,1-5,7H2,(H3,17,18,19,20,21,23)
InChIKeyBZFLZDIVYVBDCP-UHFFFAOYSA-N
XLogP1.33
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 137271975) is 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NCC2CCN(CC(F)(F)F)CC2)nc2[nH]ncc12.
What is the InChIKey of 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BZFLZDIVYVBDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6O/c14-13(15,16)7-22-3-1-8(2-4-22)5-17-12-19-10-9(6-18-21-10)11(23)20-12/h6,8H,1-5,7H2,(H3,17,18,19,20,21,23).
What are the key properties of 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 330.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137271975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).