[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C14H17N5OS — CID 79318877

IUPAC[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cn(C2CNC2)nn1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H17N5OS/c20-14(12-8-19(17-16-12)11-6-15-7-11)18-4-1-2-13(18)10-3-5-21-9-10/h3,5,8-9,11,13,15H,1-2,4,6-7H2
InChIKeyQPJHFXBGIQAHTK-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.46
Rot. Bonds3

About [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 79318877) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID79318877
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cn(C2CNC2)nn1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H17N5OS/c20-14(12-8-19(17-16-12)11-6-15-7-11)18-4-1-2-13(18)10-3-5-21-9-10/h3,5,8-9,11,13,15H,1-2,4,6-7H2
InChIKeyQPJHFXBGIQAHTK-UHFFFAOYSA-N
XLogP1.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42462335
(2-phenylazepan-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119737784
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94866933
(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94480249
1-[1-(azetidin-3-yl)triazol-4-yl]-2-thiophen-3-ylethanone
CID 116590713
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
1-(azetidin-3-yl)-2-thiophen-3-ylpyrrolidine;hydrochloride
CID 130747704

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 79318877) is [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is O=C(c1cn(C2CNC2)nn1)N1CCCC1c1ccsc1.
What is the InChIKey of [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is QPJHFXBGIQAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c20-14(12-8-19(17-16-12)11-6-15-7-11)18-4-1-2-13(18)10-3-5-21-9-10/h3,5,8-9,11,13,15H,1-2,4,6-7H2.
What are the key properties of [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
[1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)triazol-4-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79318877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).