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

C7H11N5O — CID 164659202

IUPAC2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone
SMILESCn1nnnc1C(=O)CC1CNC1
InChIInChI=1S/C7H11N5O/c1-12-7(9-10-11-12)6(13)2-5-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyZULWGSKZMZCINY-UHFFFAOYSA-N
MW181.20 g/mol
LogP-1.00
Rot. Bonds3

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

2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone (PubChem CID 164659202) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone
PubChem CID164659202
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone
SMILESCn1nnnc1C(=O)CC1CNC1
InChIInChI=1S/C7H11N5O/c1-12-7(9-10-11-12)6(13)2-5-3-8-4-5/h5,8H,2-4H2,1H3
InChIKeyZULWGSKZMZCINY-UHFFFAOYSA-N
XLogP-1.00
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 ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
CID 10397466
2-Amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
CID 85132204
5-(Azetidine-3-carbonyl)-1-methyl-1h-1,2,3,4-tetrazole
CID 164659199
3-Amino-2-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659204
3-Amino-3-methyl-1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)butan-1-one
CID 164659207
3-(1-Methyl-1h-1,2,3,4-tetrazole-5-carbonyl)cyclobutan-1-amine
CID 164660419

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone (CID 164659202) is 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone is Cn1nnnc1C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone?
The InChIKey is ZULWGSKZMZCINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-7(9-10-11-12)6(13)2-5-3-8-4-5/h5,8H,2-4H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone?
2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone has a molecular weight of 181.20 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(1-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 164659202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).