1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone

C7H12N4O — CID 84765418

IUPAC1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnn(CC(C)C)n1
InChIInChI=1S/C7H12N4O/c1-5(2)4-11-9-7(6(3)12)8-10-11/h5H,4H2,1-3H3
InChIKeyFLXNYUCMZZYATE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.53
Rot. Bonds3

About 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone

1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone (PubChem CID 84765418) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
PubChem CID84765418
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnn(CC(C)C)n1
InChIInChI=1S/C7H12N4O/c1-5(2)4-11-9-7(6(3)12)8-10-11/h5H,4H2,1-3H3
InChIKeyFLXNYUCMZZYATE-UHFFFAOYSA-N
XLogP0.53
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone (CID 84765418) is 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone is CC(=O)c1nnn(CC(C)C)n1.
What is the InChIKey of 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone?
The InChIKey is FLXNYUCMZZYATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)4-11-9-7(6(3)12)8-10-11/h5H,4H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone?
1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone has a molecular weight of 168.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)tetrazol-5-yl]ethanone is sourced from PubChem (CID 84765418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).