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

C9H15N3O — CID 115394846

IUPAC4-ethyl-3-(oxan-3-yl)-1,2,4-triazole
SMILESCCn1cnnc1C1CCCOC1
InChIInChI=1S/C9H15N3O/c1-2-12-7-10-11-9(12)8-4-3-5-13-6-8/h7-8H,2-6H2,1H3
InChIKeyHIXWRIXTVBBVLD-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.19
Rot. Bonds2

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

4-ethyl-3-(oxan-3-yl)-1,2,4-triazole (PubChem CID 115394846) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-(oxan-3-yl)-1,2,4-triazole
PubChem CID115394846
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-ethyl-3-(oxan-3-yl)-1,2,4-triazole
SMILESCCn1cnnc1C1CCCOC1
InChIInChI=1S/C9H15N3O/c1-2-12-7-10-11-9(12)8-4-3-5-13-6-8/h7-8H,2-6H2,1H3
InChIKeyHIXWRIXTVBBVLD-UHFFFAOYSA-N
XLogP1.19
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-3-(oxan-3-yl)-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

Related Compounds

1-(Oxan-4-yl)-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 53192748
3-(4-isopropyl-4H-1,2,4-triazol-3-yl)-1-tetrahydro-2H-pyran-4-ylpiperidine
CID 53192749
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydrofuran-3-ylmethyl)piperidine
CID 74237197
4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
3-Methyl-1-(oxan-2-yl)-1,2,4-triazole
CID 20744903
5-(Oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
CID 67734820
1-Methyl-5-(oxan-4-yl)-1,2,4-triazole
CID 67746869
4-Methyl-3-(oxan-4-yl)-1,2,4-triazole
CID 115395424
(3S)-3-[(4-methyl-1,2,4-triazol-3-yl)methoxymethyl]piperidine;hydrochloride
CID 140121431
1-Methyl-5-(oxan-4-ylmethyl)-1,2,4-triazole
CID 141181282
Ethane;1-methyl-5-(oxan-4-yl)-1,2,4-triazole
CID 143941238
4-(Oxan-4-yl)-3-propan-2-yl-1,2,4-triazole
CID 146430980

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole (CID 115394846) is 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole is CCn1cnnc1C1CCCOC1.
What is the InChIKey of 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole?
The InChIKey is HIXWRIXTVBBVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-7-10-11-9(12)8-4-3-5-13-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole?
4-ethyl-3-(oxan-3-yl)-1,2,4-triazole has a molecular weight of 181.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(oxan-3-yl)-1,2,4-triazole is sourced from PubChem (CID 115394846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).