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

C8H14N4 — CID 21854915

IUPAC1-(1-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCN1C=NC(=N1)N2CCCCC2
InChIInChI=1S/C8H14N4/c1-11-7-9-8(10-11)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyHDSXMTHHSBJMID-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.30
Rot. Bonds1

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

1-(1-Methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 21854915) has the molecular formula C8H14N4 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(1-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID21854915
Molecular FormulaC8H14N4
Molecular Weight166.22 g/mol
Exact Mass166.12
IUPAC Name1-(1-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCN1C=NC(=N1)N2CCCCC2
InChIInChI=1S/C8H14N4/c1-11-7-9-8(10-11)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKeyHDSXMTHHSBJMID-UHFFFAOYSA-N
XLogP1.30
TPSA34.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentyl-1H-1,2,4-triazole
CID 14267422
1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-
CID 3039955
Piperidin-1-yl(1,2,4-triazol-1-yl)methanone
CID 127033071
6-Piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 127043770
Tetrazole, 1-methyl-5-piperidino-
CID 123689062
1-Hexyl-1,2,4-triazole
CID 12591947
4-Hexyl-4H-1,2,4-triazole
CID 12888382
3-Fluoro-1-methyl-4-(1,2,4-triazol-4-yl)piperidine
CID 124187552
1-Tert-butyl-3-fluoro-4-(1,2,4-triazol-4-yl)piperidine
CID 140911441
1-(5-Bromo-2-methyl-1,2,4-triazol-3-yl)-4,4-difluoropiperidine
CID 171075675
3-(Fluoromethyl)-1-(2-methyl-1,2,4-triazol-3-yl)piperidine
CID 137956922
1-(1,2,4-Triazol-1-ylmethyl)piperidine
CID 4418202

Frequently Asked Questions

What is the IUPAC name of 1-(1-Methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(1-Methyl-1,2,4-triazol-3-yl)piperidine (CID 21854915) is 1-(1-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(1-Methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(1-Methyl-1,2,4-triazol-3-yl)piperidine is CN1C=NC(=N1)N2CCCCC2.
What is the InChIKey of 1-(1-Methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is HDSXMTHHSBJMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-7-9-8(10-11)12-5-3-2-4-6-12/h7H,2-6H2,1H3.
What are the key properties of 1-(1-Methyl-1,2,4-triazol-3-yl)piperidine?
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 166.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-Methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 21854915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).