1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole

C10H12N4S — CID 121183795

IUPAC1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole
SMILESc1cn(C2CN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C10H12N4S/c1-4-15-8-9(1)5-13-6-10(7-13)14-3-2-11-12-14/h1-4,8,10H,5-7H2
InChIKeyMDWFYFXVRYGKJV-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.40
Rot. Bonds3

About 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole

1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole (PubChem CID 121183795) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole.

Molecular Properties

Compound Name1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole
PubChem CID121183795
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole
SMILESc1cn(C2CN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C10H12N4S/c1-4-15-8-9(1)5-13-6-10(7-13)14-3-2-11-12-14/h1-4,8,10H,5-7H2
InChIKeyMDWFYFXVRYGKJV-UHFFFAOYSA-N
XLogP1.40
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(triazol-1-yl)azetidin-1-yl]methyl]pyridine
CID 121183800
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735
1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-(triazol-1-yl)ethanone
CID 127417304
(3aR,6aR)-5-pyrimidin-2-yl-2-(thiophen-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97377083
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
1-(1-thiophen-3-ylethyl)-4-(triazol-1-yl)piperidine
CID 121183694
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]azetidin-3-yl]triazole
CID 121183788
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
CID 116684210
3,5-dimethyl-1-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 50978885

Frequently Asked Questions

What is the IUPAC name of 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole?
The IUPAC name of 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole (CID 121183795) is 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole.
What is the SMILES notation for 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole?
The canonical SMILES for 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole is c1cn(C2CN(Cc3ccsc3)C2)nn1.
What is the InChIKey of 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole?
The InChIKey is MDWFYFXVRYGKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-4-15-8-9(1)5-13-6-10(7-13)14-3-2-11-12-14/h1-4,8,10H,5-7H2.
What are the key properties of 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole?
1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole has a molecular weight of 220.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(thiophen-3-ylmethyl)azetidin-3-yl]triazole is sourced from PubChem (CID 121183795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).