1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

C7H11N5O — CID 107062185

IUPAC1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CNC2)n1
InChIInChI=1S/C7H11N5O/c1-12-10-7(9-11-12)2-6(13)5-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyJVEQMIUSTJJYFI-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.46
Rot. Bonds3

About 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062185) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062185
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CNC2)n1
InChIInChI=1S/C7H11N5O/c1-12-10-7(9-11-12)2-6(13)5-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyJVEQMIUSTJJYFI-UHFFFAOYSA-N
XLogP-1.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107062185) is 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CNC2)n1.
What is the InChIKey of 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is JVEQMIUSTJJYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-10-7(9-11-12)2-6(13)5-3-8-4-5/h5,8H,2-4H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(azetidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 181.20 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)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).