4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole

C12H17N5O2 — CID 139019688

IUPAC4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
SMILESCn1nccc1-c1cn(CCOC2CCOC2)nn1
InChIInChI=1S/C12H17N5O2/c1-16-12(2-4-13-16)11-8-17(15-14-11)5-7-19-10-3-6-18-9-10/h2,4,8,10H,3,5-7,9H2,1H3
InChIKeyUMZOXYKHMGYBEG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.48
Rot. Bonds5

About 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole

4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole (PubChem CID 139019688) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
PubChem CID139019688
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
SMILESCn1nccc1-c1cn(CCOC2CCOC2)nn1
InChIInChI=1S/C12H17N5O2/c1-16-12(2-4-13-16)11-8-17(15-14-11)5-7-19-10-3-6-18-9-10/h2,4,8,10H,3,5-7,9H2,1H3
InChIKeyUMZOXYKHMGYBEG-UHFFFAOYSA-N
XLogP0.48
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole 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-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole (CID 139019688) is 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole is Cn1nccc1-c1cn(CCOC2CCOC2)nn1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
The InChIKey is UMZOXYKHMGYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-16-12(2-4-13-16)11-8-17(15-14-11)5-7-19-10-3-6-18-9-10/h2,4,8,10H,3,5-7,9H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole?
4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole has a molecular weight of 263.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole is sourced from PubChem (CID 139019688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).