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

C10H18N4 — CID 62694266

IUPAC3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCn1cnnc1CC1CCCNC1
InChIInChI=1S/C10H18N4/c1-2-14-8-12-13-10(14)6-9-4-3-5-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyBEMSFMDKXHKGCR-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.84
Rot. Bonds3

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

3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 62694266) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID62694266
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCCn1cnnc1CC1CCCNC1
InChIInChI=1S/C10H18N4/c1-2-14-8-12-13-10(14)6-9-4-3-5-11-7-9/h8-9,11H,2-7H2,1H3
InChIKeyBEMSFMDKXHKGCR-UHFFFAOYSA-N
XLogP0.84
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]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-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 62694266) is 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine is CCn1cnnc1CC1CCCNC1.
What is the InChIKey of 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is BEMSFMDKXHKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-14-8-12-13-10(14)6-9-4-3-5-11-7-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine?
3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 62694266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).