azetidin-3-yl-(1-methyltetrazol-5-yl)methanone

C6H9N5O — CID 164659199

IUPACazetidin-3-yl-(1-methyltetrazol-5-yl)methanone
SMILESCn1nnnc1C(=O)C1CNC1
InChIInChI=1S/C6H9N5O/c1-11-6(8-9-10-11)5(12)4-2-7-3-4/h4,7H,2-3H2,1H3
InChIKeyFFKWAJREJRWCSS-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.39
Rot. Bonds2

About azetidin-3-yl-(1-methyltetrazol-5-yl)methanone

azetidin-3-yl-(1-methyltetrazol-5-yl)methanone (PubChem CID 164659199) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is azetidin-3-yl-(1-methyltetrazol-5-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(1-methyltetrazol-5-yl)methanone
PubChem CID164659199
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Nameazetidin-3-yl-(1-methyltetrazol-5-yl)methanone
SMILESCn1nnnc1C(=O)C1CNC1
InChIInChI=1S/C6H9N5O/c1-11-6(8-9-10-11)5(12)4-2-7-3-4/h4,7H,2-3H2,1H3
InChIKeyFFKWAJREJRWCSS-UHFFFAOYSA-N
XLogP-1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(1-methyltetrazol-5-yl)methanone?
The IUPAC name of azetidin-3-yl-(1-methyltetrazol-5-yl)methanone (CID 164659199) is azetidin-3-yl-(1-methyltetrazol-5-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(1-methyltetrazol-5-yl)methanone?
The canonical SMILES for azetidin-3-yl-(1-methyltetrazol-5-yl)methanone is Cn1nnnc1C(=O)C1CNC1.
What is the InChIKey of azetidin-3-yl-(1-methyltetrazol-5-yl)methanone?
The InChIKey is FFKWAJREJRWCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-11-6(8-9-10-11)5(12)4-2-7-3-4/h4,7H,2-3H2,1H3.
What are the key properties of azetidin-3-yl-(1-methyltetrazol-5-yl)methanone?
azetidin-3-yl-(1-methyltetrazol-5-yl)methanone has a molecular weight of 167.17 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(1-methyltetrazol-5-yl)methanone is sourced from PubChem (CID 164659199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).