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

C9H15N3O — CID 114826023

IUPAC5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
SMILESCCc1nc(C2COC(C)C2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-3-8-10-9(12-11-8)7-4-6(2)13-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyBLEKDYPLBXIEMI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.26
Rot. Bonds2

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

5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole (PubChem CID 114826023) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
PubChem CID114826023
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
SMILESCCc1nc(C2COC(C)C2)n[nH]1
InChIInChI=1S/C9H15N3O/c1-3-8-10-9(12-11-8)7-4-6(2)13-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyBLEKDYPLBXIEMI-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

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Related Compounds

5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826027
4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 61279978
5-ethyl-3-(2-ethylcyclopropyl)-1H-1,2,4-triazole
CID 130961428
2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine;dihydrochloride
CID 167739757
5-(chloromethyl)-3-(3-methylcyclopentyl)-1H-1,2,4-triazole
CID 79600002
2-methyl-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-amine
CID 114824901
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-1H-1,2,4-triazole
CID 61277728
4-amino-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole-5-thione
CID 114825995
3-cyclohexyl-5-nonyl-1H-1,2,4-triazole
CID 65427882
3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 63044245
1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pent-4-en-1-one
CID 99833920
2-[3-(2-methylcyclopropyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 65420230

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole (CID 114826023) is 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole is CCc1nc(C2COC(C)C2)n[nH]1.
What is the InChIKey of 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
The InChIKey is BLEKDYPLBXIEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-8-10-9(12-11-8)7-4-6(2)13-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-ethyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole?
5-ethyl-3-(5-methyloxolan-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-(5-methyloxolan-3-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 114826023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).