N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C19H20ClF3N6 — CID 133293285

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCC2CCN(Cc3ccccc3Cl)CC2)n2ncnc2n1
InChIInChI=1S/C19H20ClF3N6/c20-15-4-2-1-3-14(15)11-28-7-5-13(6-8-28)10-24-17-9-16(19(21,22)23)27-18-25-12-26-29(17)18/h1-4,9,12-13,24H,5-8,10-11H2
InChIKeyOSMABYVYBAAFNK-UHFFFAOYSA-N
MW424.86 g/mol
LogP4.12
Rot. Bonds5

About N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133293285) has the molecular formula C19H20ClF3N6 and a molecular weight of 424.86 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133293285
Molecular FormulaC19H20ClF3N6
Molecular Weight424.86 g/mol
Exact Mass424.14
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCC2CCN(Cc3ccccc3Cl)CC2)n2ncnc2n1
InChIInChI=1S/C19H20ClF3N6/c20-15-4-2-1-3-14(15)11-28-7-5-13(6-8-28)10-24-17-9-16(19(21,22)23)27-18-25-12-26-29(17)18/h1-4,9,12-13,24H,5-8,10-11H2
InChIKeyOSMABYVYBAAFNK-UHFFFAOYSA-N
XLogP4.12
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133293285) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(NCC2CCN(Cc3ccccc3Cl)CC2)n2ncnc2n1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OSMABYVYBAAFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N6/c20-15-4-2-1-3-14(15)11-28-7-5-13(6-8-28)10-24-17-9-16(19(21,22)23)27-18-25-12-26-29(17)18/h1-4,9,12-13,24H,5-8,10-11H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 424.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133293285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).