5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole

C9H15N3O — CID 63015438

IUPAC5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole
SMILESCCc1nc(C2CCCOC2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-2-8-10-9(12-11-8)7-4-3-5-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyRFYMQHCJVVCBMT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds2

About 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole

5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole (PubChem CID 63015438) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole
PubChem CID63015438
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole
SMILESCCc1nc(C2CCCOC2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-2-8-10-9(12-11-8)7-4-3-5-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyRFYMQHCJVVCBMT-UHFFFAOYSA-N
XLogP1.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-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 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole (CID 63015438) is 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole is CCc1nc(C2CCCOC2)n[nH]1.
What is the InChIKey of 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
The InChIKey is RFYMQHCJVVCBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-8-10-9(12-11-8)7-4-3-5-13-6-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole?
5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 63015438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).