1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine

C19H32N8 — CID 74249858

IUPAC1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine
SMILESCCN1CCC(N2CCC(c3nnc(Cn4cncn4)n3CC)CC2)CC1
InChIInChI=1S/C19H32N8/c1-3-24-9-7-17(8-10-24)25-11-5-16(6-12-25)19-23-22-18(27(19)4-2)13-26-15-20-14-21-26/h14-17H,3-13H2,1-2H3
InChIKeyBXIXWYZYJHKTCQ-UHFFFAOYSA-N
MW372.52 g/mol
LogP1.60
Rot. Bonds6

About 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine

1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine (PubChem CID 74249858) has the molecular formula C19H32N8 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine
PubChem CID74249858
Molecular FormulaC19H32N8
Molecular Weight372.52 g/mol
Exact Mass372.27
IUPAC Name1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine
SMILESCCN1CCC(N2CCC(c3nnc(Cn4cncn4)n3CC)CC2)CC1
InChIInChI=1S/C19H32N8/c1-3-24-9-7-17(8-10-24)25-11-5-16(6-12-25)19-23-22-18(27(19)4-2)13-26-15-20-14-21-26/h14-17H,3-13H2,1-2H3
InChIKeyBXIXWYZYJHKTCQ-UHFFFAOYSA-N
XLogP1.60
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine?
The IUPAC name of 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine (CID 74249858) is 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine.
What is the SMILES notation for 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine is CCN1CCC(N2CCC(c3nnc(Cn4cncn4)n3CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine?
The InChIKey is BXIXWYZYJHKTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8/c1-3-24-9-7-17(8-10-24)25-11-5-16(6-12-25)19-23-22-18(27(19)4-2)13-26-15-20-14-21-26/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine?
1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine has a molecular weight of 372.52 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]piperidine is sourced from PubChem (CID 74249858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).