3-(4-methyl-1,2,4-triazol-3-yl)piperidine

C8H14N4 — CID 43810594

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCCNC1
InChIInChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-3-2-4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyFJEIRKHYFRMBAB-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.28
Rot. Bonds1

About 3-(4-methyl-1,2,4-triazol-3-yl)piperidine

3-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 43810594) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID43810594
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1CCCNC1
InChIInChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-3-2-4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyFJEIRKHYFRMBAB-UHFFFAOYSA-N
XLogP0.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 43810594) is 3-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1C1CCCNC1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is FJEIRKHYFRMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-3-2-4-9-5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
3-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 43810594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).