4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C17H21F3N6O — CID 6617310

IUPAC4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)(F)F)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H21F3N6O/c1-21-14-22-15(24-16(23-14)27-12-17(18,19)20)26-9-7-25(8-10-26)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,21,22,23,24)
InChIKeyPWZOXTFSXSALRI-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.18
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 6617310) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID6617310
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)(F)F)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C17H21F3N6O/c1-21-14-22-15(24-16(23-14)27-12-17(18,19)20)26-9-7-25(8-10-26)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,21,22,23,24)
InChIKeyPWZOXTFSXSALRI-UHFFFAOYSA-N
XLogP2.18
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 6617310) is 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CNc1nc(OCC(F)(F)F)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is PWZOXTFSXSALRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c1-21-14-22-15(24-16(23-14)27-12-17(18,19)20)26-9-7-25(8-10-26)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,21,22,23,24).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 382.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6617310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).