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

C12H21N3O2 — CID 103167583

IUPAC3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2CCOC)C1
InChIInChI=1S/C12H21N3O2/c1-3-17-11-6-10(7-11)8-12-14-13-9-15(12)4-5-16-2/h9-11H,3-8H2,1-2H3
InChIKeyRFNGVEYJNRCUNK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.28
Rot. Bonds7

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

3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 103167583) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID103167583
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCCOC1CC(Cc2nncn2CCOC)C1
InChIInChI=1S/C12H21N3O2/c1-3-17-11-6-10(7-11)8-12-14-13-9-15(12)4-5-16-2/h9-11H,3-8H2,1-2H3
InChIKeyRFNGVEYJNRCUNK-UHFFFAOYSA-N
XLogP1.28
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole (CID 103167583) is 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole is CCOC1CC(Cc2nncn2CCOC)C1.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is RFNGVEYJNRCUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-17-11-6-10(7-11)8-12-14-13-9-15(12)4-5-16-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole?
3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 239.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 103167583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).