1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide

C14H16FN5O — CID 79320078

IUPAC1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H16FN5O/c15-11-3-1-2-10(6-11)4-5-17-14(21)13-9-20(19-18-13)12-7-16-8-12/h1-3,6,9,12,16H,4-5,7-8H2,(H,17,21)
InChIKeyITQIBKYEVYNRKS-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.53
Rot. Bonds5

About 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide

1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide (PubChem CID 79320078) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
PubChem CID79320078
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESO=C(NCCc1cccc(F)c1)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H16FN5O/c15-11-3-1-2-10(6-11)4-5-17-14(21)13-9-20(19-18-13)12-7-16-8-12/h1-3,6,9,12,16H,4-5,7-8H2,(H,17,21)
InChIKeyITQIBKYEVYNRKS-UHFFFAOYSA-N
XLogP0.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
1-(azetidin-3-yl)-N-(2-thiophen-3-ylethyl)triazole-4-carboxamide
CID 79316779
[1-(azetidin-3-yl)triazol-4-yl]-(3-fluorophenyl)methanone
CID 116590706
1-(azetidin-3-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 106415982
1-(azetidin-3-yl)-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 79319023
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(4-fluorophenyl)ethanone
CID 116590597
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
1-(azetidin-3-yl)-N-(4-chloro-3-fluorophenyl)triazole-4-carboxamide
CID 79316764
1-(azetidin-3-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]triazole-4-carboxamide
CID 106047571
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(2,4-difluorophenyl)ethanone
CID 116590710

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide (CID 79320078) is 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide is O=C(NCCc1cccc(F)c1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide?
The InChIKey is ITQIBKYEVYNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c15-11-3-1-2-10(6-11)4-5-17-14(21)13-9-20(19-18-13)12-7-16-8-12/h1-3,6,9,12,16H,4-5,7-8H2,(H,17,21).
What are the key properties of 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide?
1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[2-(3-fluorophenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 79320078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).