3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole

C11H19N3O — CID 103167591

IUPAC3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2CC)C1
InChIInChI=1S/C11H19N3O/c1-3-14-8-12-13-11(14)7-9-5-10(6-9)15-4-2/h8-10H,3-7H2,1-2H3
InChIKeyIUEHOADUCJSAJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.66
Rot. Bonds5

About 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole

3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole (PubChem CID 103167591) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole
PubChem CID103167591
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2CC)C1
InChIInChI=1S/C11H19N3O/c1-3-14-8-12-13-11(14)7-9-5-10(6-9)15-4-2/h8-10H,3-7H2,1-2H3
InChIKeyIUEHOADUCJSAJO-UHFFFAOYSA-N
XLogP1.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(tetrahydro-2H-pyran-3-ylmethyl)piperidine
CID 91832863
4-Ethyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115394846
1-Methyl-5-(oxan-4-ylmethyl)-1,2,4-triazole
CID 141181282
1-Cyclobutyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 65605218
1-Cyclobutyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 65605219
1-Cyclobutyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 65605220
5-(2-Ethyl-1,2,4-triazol-3-yl)-4-methylpentan-2-ol
CID 65617409
4-Methyl-5-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65617410
4-Methyl-5-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 65617411
4-Methyl-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 65617611
4,4-Dimethyl-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 65617811
5-[2-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 65618418

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole (CID 103167591) is 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole is CCOC1CC(Cc2nncn2CC)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole?
The InChIKey is IUEHOADUCJSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14-8-12-13-11(14)7-9-5-10(6-9)15-4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole?
3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole has a molecular weight of 209.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-4-ethyl-1,2,4-triazole is sourced from PubChem (CID 103167591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).