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

C9H16N4 — CID 58398069

IUPAC1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine
SMILESCN1CCC(Cc2ncn[nH]2)CC1
InChIInChI=1S/C9H16N4/c1-13-4-2-8(3-5-13)6-9-10-7-11-12-9/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyFEOZZHCIVSEMFX-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.69
Rot. Bonds2

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

1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine (PubChem CID 58398069) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine
PubChem CID58398069
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine
SMILESCN1CCC(Cc2ncn[nH]2)CC1
InChIInChI=1S/C9H16N4/c1-13-4-2-8(3-5-13)6-9-10-7-11-12-9/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyFEOZZHCIVSEMFX-UHFFFAOYSA-N
XLogP0.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)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-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine?
The IUPAC name of 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine (CID 58398069) is 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine.
What is the SMILES notation for 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine?
The canonical SMILES for 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine is CN1CCC(Cc2ncn[nH]2)CC1.
What is the InChIKey of 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine?
The InChIKey is FEOZZHCIVSEMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-4-2-8(3-5-13)6-9-10-7-11-12-9/h7-8H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine?
1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperidine is sourced from PubChem (CID 58398069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).