1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine

C15H19F3N6O — CID 174609667

IUPAC1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCCOc1ccc(CN2CCN(c3n[nH]c(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C15H19F3N6O/c1-2-25-12-4-3-11(9-19-12)10-23-5-7-24(8-6-23)14-20-13(21-22-14)15(16,17)18/h3-4,9H,2,5-8,10H2,1H3,(H,20,21,22)
InChIKeyIGORDRSNPOLKTQ-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.94
Rot. Bonds5

About 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine

1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine (PubChem CID 174609667) has the molecular formula C15H19F3N6O and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine
PubChem CID174609667
Molecular FormulaC15H19F3N6O
Molecular Weight356.35 g/mol
Exact Mass356.16
IUPAC Name1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine
SMILESCCOc1ccc(CN2CCN(c3n[nH]c(C(F)(F)F)n3)CC2)cn1
InChIInChI=1S/C15H19F3N6O/c1-2-25-12-4-3-11(9-19-12)10-23-5-7-24(8-6-23)14-20-13(21-22-14)15(16,17)18/h3-4,9H,2,5-8,10H2,1H3,(H,20,21,22)
InChIKeyIGORDRSNPOLKTQ-UHFFFAOYSA-N
XLogP1.94
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine with MolForge

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Related Compounds

1-[(6-ethoxy-3-pyridinyl)methyl]-4-(4-fluorophenyl)-1,4-diazepane
CID 77092564
1-(disulfanyl)-4-[(6-ethoxy-3-pyridinyl)methyl]piperazine
CID 138603801
1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
2-[4-[(6-ethoxy-3-pyridinyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carboxamide
CID 50968294
4,6-dimethoxy-2-[[4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methyl]pyrimidine
CID 24734018
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-tert-butyl-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]phenyl]methyl]piperazine
CID 141305143
3-[(6-ethoxy-3-pyridinyl)methyl]-5-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 166371620
2-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 163352202
2-ethoxy-5-[[(2R)-2-(4-fluorophenyl)azetidin-1-yl]methyl]pyridine
CID 99936278
(3S,4S)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 77081255

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine (CID 174609667) is 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine is CCOc1ccc(CN2CCN(c3n[nH]c(C(F)(F)F)n3)CC2)cn1.
What is the InChIKey of 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine?
The InChIKey is IGORDRSNPOLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O/c1-2-25-12-4-3-11(9-19-12)10-23-5-7-24(8-6-23)14-20-13(21-22-14)15(16,17)18/h3-4,9H,2,5-8,10H2,1H3,(H,20,21,22).
What are the key properties of 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine?
1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine has a molecular weight of 356.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-3-pyridinyl)methyl]-4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 174609667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).