4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine

C11H18N4O — CID 66487003

IUPAC4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESC1COC(c2nc(C3CCNCC3)n[nH]2)C1
InChIInChI=1S/C11H18N4O/c1-2-9(16-7-1)11-13-10(14-15-11)8-3-5-12-6-4-8/h8-9,12H,1-7H2,(H,13,14,15)
InChIKeyUZDPKYSFCQOLPF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.12
Rot. Bonds2

About 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine

4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 66487003) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID66487003
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESC1COC(c2nc(C3CCNCC3)n[nH]2)C1
InChIInChI=1S/C11H18N4O/c1-2-9(16-7-1)11-13-10(14-15-11)8-3-5-12-6-4-8/h8-9,12H,1-7H2,(H,13,14,15)
InChIKeyUZDPKYSFCQOLPF-UHFFFAOYSA-N
XLogP1.12
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-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 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine (CID 66487003) is 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine is C1COC(c2nc(C3CCNCC3)n[nH]2)C1.
What is the InChIKey of 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is UZDPKYSFCQOLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-9(16-7-1)11-13-10(14-15-11)8-3-5-12-6-4-8/h8-9,12H,1-7H2,(H,13,14,15).
What are the key properties of 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine?
4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 222.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 66487003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).