2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine

C19H26N8O — CID 72853915

IUPAC2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCCOc1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)cn1
InChIInChI=1S/C19H26N8O/c1-3-28-18-5-4-15(10-21-18)11-26-8-6-16(7-9-26)19-24-23-17(25(19)2)12-27-14-20-13-22-27/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3
InChIKeyCQIHDIKOKXABDO-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.63
Rot. Bonds7

About 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine

2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 72853915) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
PubChem CID72853915
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
SMILESCCOc1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)cn1
InChIInChI=1S/C19H26N8O/c1-3-28-18-5-4-15(10-21-18)11-26-8-6-16(7-9-26)19-24-23-17(25(19)2)12-27-14-20-13-22-27/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3
InChIKeyCQIHDIKOKXABDO-UHFFFAOYSA-N
XLogP1.63
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine (CID 72853915) is 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine is CCOc1ccc(CN2CCC(c3nnc(Cn4cncn4)n3C)CC2)cn1.
What is the InChIKey of 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is CQIHDIKOKXABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-3-28-18-5-4-15(10-21-18)11-26-8-6-16(7-9-26)19-24-23-17(25(19)2)12-27-14-20-13-22-27/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3.
What are the key properties of 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine?
2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 382.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[[4-[4-methyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 72853915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).