2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

C8H10N8O — CID 121154801

IUPAC2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(Cn1cnnn1)N1CC(n2ccnn2)C1
InChIInChI=1S/C8H10N8O/c17-8(5-15-6-10-11-13-15)14-3-7(4-14)16-2-1-9-12-16/h1-2,6-7H,3-5H2
InChIKeyQHTOLXOHILKWIM-UHFFFAOYSA-N
MW234.22 g/mol
LogP-1.65
Rot. Bonds3

About 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 121154801) has the molecular formula C8H10N8O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
PubChem CID121154801
Molecular FormulaC8H10N8O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(Cn1cnnn1)N1CC(n2ccnn2)C1
InChIInChI=1S/C8H10N8O/c17-8(5-15-6-10-11-13-15)14-3-7(4-14)16-2-1-9-12-16/h1-2,6-7H,3-5H2
InChIKeyQHTOLXOHILKWIM-UHFFFAOYSA-N
XLogP-1.65
TPSA94.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819
2-ethyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 121154833
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-(tetrazol-1-yl)ethanone
CID 102679645
1-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(tetrazol-1-yl)ethanone
CID 43596168
2-pyridin-4-ylsulfanyl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154788
2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154697
3-(2,4-dichlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
CID 121154754
1-[(3S)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606683
1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 95606682
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
2-(4-methoxyphenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154692

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (CID 121154801) is 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is O=C(Cn1cnnn1)N1CC(n2ccnn2)C1.
What is the InChIKey of 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is QHTOLXOHILKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O/c17-8(5-15-6-10-11-13-15)14-3-7(4-14)16-2-1-9-12-16/h1-2,6-7H,3-5H2.
What are the key properties of 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 234.22 g/mol, XLogP of -1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 121154801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).