3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole

C10H18N4O — CID 116684388

IUPAC3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C(C)C1CNC1
InChIInChI=1S/C10H18N4O/c1-8(9-5-11-6-9)10-13-12-7-14(10)3-4-15-2/h7-9,11H,3-6H2,1-2H3
InChIKeyBIBUOZVBWIEHQC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.25
Rot. Bonds5

About 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole

3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 116684388) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID116684388
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C(C)C1CNC1
InChIInChI=1S/C10H18N4O/c1-8(9-5-11-6-9)10-13-12-7-14(10)3-4-15-2/h7-9,11H,3-6H2,1-2H3
InChIKeyBIBUOZVBWIEHQC-UHFFFAOYSA-N
XLogP0.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
5-ethyl-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178761
5-ethyl-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178759
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97192390
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
CID 104905990
4-(2-methoxyethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 94554648
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 62709366
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-propan-2-ylpiperidine
CID 95820117

Frequently Asked Questions

What is the IUPAC name of 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole (CID 116684388) is 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1C(C)C1CNC1.
What is the InChIKey of 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is BIBUOZVBWIEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(9-5-11-6-9)10-13-12-7-14(10)3-4-15-2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 210.28 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azetidin-3-yl)ethyl]-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 116684388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).