(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone

C14H16N4O2 — CID 131701893

IUPAC(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC(n2nccn2)C1
InChIInChI=1S/C14H16N4O2/c1-2-20-13-6-4-3-5-12(13)14(19)17-9-11(10-17)18-15-7-8-16-18/h3-8,11H,2,9-10H2,1H3
InChIKeyFREXDGQPLHCKID-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.37
Rot. Bonds4

About (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone

(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone (PubChem CID 131701893) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
PubChem CID131701893
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC(n2nccn2)C1
InChIInChI=1S/C14H16N4O2/c1-2-20-13-6-4-3-5-12(13)14(19)17-9-11(10-17)18-15-7-8-16-18/h3-8,11H,2,9-10H2,1H3
InChIKeyFREXDGQPLHCKID-UHFFFAOYSA-N
XLogP1.37
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627456
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
CID 53034644
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 121022721
(3S,4S)-1-(2-ethoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949156
(2-ethoxyphenyl)-(2,7,8,9-tetramethyl-5,5a-dihydro-3H-pyrimido[1,2-b][1,2,5]triazepin-4-yl)methanone
CID 123549335
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860
(2-ethylsulfanylphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178535
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
(2-ethoxyphenyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506351

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone (CID 131701893) is (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CC(n2nccn2)C1.
What is the InChIKey of (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The InChIKey is FREXDGQPLHCKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-20-13-6-4-3-5-12(13)14(19)17-9-11(10-17)18-15-7-8-16-18/h3-8,11H,2,9-10H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone has a molecular weight of 272.31 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 131701893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).