1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone

C8H12N4O — CID 107047092

IUPAC1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-7(13)6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyFSQDWXRERJLEEL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.12
Rot. Bonds3

About 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone

1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047092) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047092
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC2)n1
InChIInChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-7(13)6-3-2-4-6/h6H,2-5H2,1H3
InChIKeyFSQDWXRERJLEEL-UHFFFAOYSA-N
XLogP0.12
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone (CID 107047092) is 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCC2)n1.
What is the InChIKey of 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is FSQDWXRERJLEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-10-8(9-11-12)5-7(13)6-3-2-4-6/h6H,2-5H2,1H3.
What are the key properties of 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone?
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).