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

C13H22N4O — CID 74237197

IUPAC4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine
SMILESCn1cnnc1C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C13H22N4O/c1-16-10-14-15-13(16)12-2-5-17(6-3-12)8-11-4-7-18-9-11/h10-12H,2-9H2,1H3
InChIKeyZACORYPHHCQSOZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.03
Rot. Bonds3

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

4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine (PubChem CID 74237197) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine
PubChem CID74237197
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine
SMILESCn1cnnc1C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C13H22N4O/c1-16-10-14-15-13(16)12-2-5-17(6-3-12)8-11-4-7-18-9-11/h10-12H,2-9H2,1H3
InChIKeyZACORYPHHCQSOZ-UHFFFAOYSA-N
XLogP1.03
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-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 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
The IUPAC name of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine (CID 74237197) is 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine is Cn1cnnc1C1CCN(CC2CCOC2)CC1.
What is the InChIKey of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
The InChIKey is ZACORYPHHCQSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-10-14-15-13(16)12-2-5-17(6-3-12)8-11-4-7-18-9-11/h10-12H,2-9H2,1H3.
What are the key properties of 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine?
4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine has a molecular weight of 250.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,2,4-triazol-3-yl)-1-(oxolan-3-ylmethyl)piperidine is sourced from PubChem (CID 74237197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).