N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide

C13H15N5O2 — CID 121154881

IUPACN-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(n3ccnn3)C2)c1
InChIInChI=1S/C13H15N5O2/c1-20-12-4-2-3-10(7-12)15-13(19)17-8-11(9-17)18-6-5-14-16-18/h2-7,11H,8-9H2,1H3,(H,15,19)
InChIKeyLSFYFZWSLYAMBY-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.38
Rot. Bonds3

About N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide

N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide (PubChem CID 121154881) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
PubChem CID121154881
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC(n3ccnn3)C2)c1
InChIInChI=1S/C13H15N5O2/c1-20-12-4-2-3-10(7-12)15-13(19)17-8-11(9-17)18-6-5-14-16-18/h2-7,11H,8-9H2,1H3,(H,15,19)
InChIKeyLSFYFZWSLYAMBY-UHFFFAOYSA-N
XLogP1.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 121154782
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
N-thiophen-2-yl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 91814777
3-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 122248088
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 121156070
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 162887102
N-(3-methoxyphenyl)-3-(4-pyridin-4-ylpiperidin-1-yl)sulfonylazetidine-1-carboxamide
CID 146372978

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide (CID 121154881) is N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide is COc1cccc(NC(=O)N2CC(n3ccnn3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
The InChIKey is LSFYFZWSLYAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-20-12-4-2-3-10(7-12)15-13(19)17-8-11(9-17)18-6-5-14-16-18/h2-7,11H,8-9H2,1H3,(H,15,19).
What are the key properties of N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121154881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).