3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine

C8H14N4 — CID 63138240

IUPAC3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1(c2ncn[nH]2)CCCNC1
InChIInChI=1S/C8H14N4/c1-8(3-2-4-9-5-8)7-10-6-11-12-7/h6,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyVMLRMVKKLVMTPX-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.45
Rot. Bonds1

About 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine

3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 63138240) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID63138240
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1(c2ncn[nH]2)CCCNC1
InChIInChI=1S/C8H14N4/c1-8(3-2-4-9-5-8)7-10-6-11-12-7/h6,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyVMLRMVKKLVMTPX-UHFFFAOYSA-N
XLogP0.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-(1H-1,2,4-triazol-5-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 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine (CID 63138240) is 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine is CC1(c2ncn[nH]2)CCCNC1.
What is the InChIKey of 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is VMLRMVKKLVMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8(3-2-4-9-5-8)7-10-6-11-12-7/h6,9H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine?
3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 63138240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).