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

C14H23N7 — CID 72923155

IUPAC1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCN1CCC(c2nnc(Cn3cncn3)n2CC)CC1
InChIInChI=1S/C14H23N7/c1-3-19-7-5-12(6-8-19)14-18-17-13(21(14)4-2)9-20-11-15-10-16-20/h10-12H,3-9H2,1-2H3
InChIKeyYRDIKZWADBKJKI-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.14
Rot. Bonds5

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

1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 72923155) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID72923155
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCCN1CCC(c2nnc(Cn3cncn3)n2CC)CC1
InChIInChI=1S/C14H23N7/c1-3-19-7-5-12(6-8-19)14-18-17-13(21(14)4-2)9-20-11-15-10-16-20/h10-12H,3-9H2,1-2H3
InChIKeyYRDIKZWADBKJKI-UHFFFAOYSA-N
XLogP1.14
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 72923155) is 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is CCN1CCC(c2nnc(Cn3cncn3)n2CC)CC1.
What is the InChIKey of 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is YRDIKZWADBKJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-3-19-7-5-12(6-8-19)14-18-17-13(21(14)4-2)9-20-11-15-10-16-20/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 289.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72923155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).