2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one

C8H13N5O — CID 131138368

IUPAC2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCC(C(=O)c1nnn(C)n1)C1CNC1
InChIInChI=1S/C8H13N5O/c1-5(6-3-9-4-6)7(14)8-10-12-13(2)11-8/h5-6,9H,3-4H2,1-2H3
InChIKeyKEUWRRDWUJKSIP-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.75
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one

2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one (PubChem CID 131138368) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one
PubChem CID131138368
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one
SMILESCC(C(=O)c1nnn(C)n1)C1CNC1
InChIInChI=1S/C8H13N5O/c1-5(6-3-9-4-6)7(14)8-10-12-13(2)11-8/h5-6,9H,3-4H2,1-2H3
InChIKeyKEUWRRDWUJKSIP-UHFFFAOYSA-N
XLogP-0.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one (CID 131138368) is 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one is CC(C(=O)c1nnn(C)n1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one?
The InChIKey is KEUWRRDWUJKSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-5(6-3-9-4-6)7(14)8-10-12-13(2)11-8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one?
2-(azetidin-3-yl)-1-(2-methyltetrazol-5-yl)propan-1-one has a molecular weight of 195.23 g/mol, XLogP of -0.75, 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-(2-methyltetrazol-5-yl)propan-1-one is sourced from PubChem (CID 131138368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).