4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine

C10H18N4 — CID 91408692

IUPAC4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine
SMILESCCn1ncnc1C1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-3-14-10(11-8-12-14)9-4-6-13(2)7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyRUODZOYSVZVUCC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.11
Rot. Bonds2

About 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine

4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine (PubChem CID 91408692) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine
PubChem CID91408692
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine
SMILESCCn1ncnc1C1CCN(C)CC1
InChIInChI=1S/C10H18N4/c1-3-14-10(11-8-12-14)9-4-6-13(2)7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyRUODZOYSVZVUCC-UHFFFAOYSA-N
XLogP1.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine 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 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
The IUPAC name of 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine (CID 91408692) is 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
The canonical SMILES for 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine is CCn1ncnc1C1CCN(C)CC1.
What is the InChIKey of 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
The InChIKey is RUODZOYSVZVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-14-10(11-8-12-14)9-4-6-13(2)7-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine?
4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine has a molecular weight of 194.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine is sourced from PubChem (CID 91408692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).