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

C9H16N4 — CID 59619101

IUPAC1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCN1CCCC(c2ncnn2C)C1
InChIInChI=1S/C9H16N4/c1-12-5-3-4-8(6-12)9-10-7-11-13(9)2/h7-8H,3-6H2,1-2H3
InChIKeyLLBSFWUTENYJJF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.62
Rot. Bonds1

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

1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 59619101) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID59619101
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCN1CCCC(c2ncnn2C)C1
InChIInChI=1S/C9H16N4/c1-12-5-3-4-8(6-12)9-10-7-11-13(9)2/h7-8H,3-6H2,1-2H3
InChIKeyLLBSFWUTENYJJF-UHFFFAOYSA-N
XLogP0.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine (CID 59619101) is 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine is CN1CCCC(c2ncnn2C)C1.
What is the InChIKey of 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is LLBSFWUTENYJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-5-3-4-8(6-12)9-10-7-11-13(9)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine?
1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 59619101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).