5-(2H-tetrazol-5-yl)pentan-2-one

C6H10N4O — CID 59450617

IUPAC5-(2H-tetrazol-5-yl)pentan-2-one
SMILESCC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C6H10N4O/c1-5(11)3-2-4-6-7-9-10-8-6/h2-4H2,1H3,(H,7,8,9,10)
InChIKeyKZPFGDZQEINLTR-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.11
Rot. Bonds4

About 5-(2H-tetrazol-5-yl)pentan-2-one

5-(2H-tetrazol-5-yl)pentan-2-one (PubChem CID 59450617) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)pentan-2-one
PubChem CID59450617
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(2H-tetrazol-5-yl)pentan-2-one
SMILESCC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C6H10N4O/c1-5(11)3-2-4-6-7-9-10-8-6/h2-4H2,1H3,(H,7,8,9,10)
InChIKeyKZPFGDZQEINLTR-UHFFFAOYSA-N
XLogP0.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)pentan-2-one?
The IUPAC name of 5-(2H-tetrazol-5-yl)pentan-2-one (CID 59450617) is 5-(2H-tetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)pentan-2-one?
The canonical SMILES for 5-(2H-tetrazol-5-yl)pentan-2-one is CC(=O)CCCc1nn[nH]n1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)pentan-2-one?
The InChIKey is KZPFGDZQEINLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(11)3-2-4-6-7-9-10-8-6/h2-4H2,1H3,(H,7,8,9,10).
What are the key properties of 5-(2H-tetrazol-5-yl)pentan-2-one?
5-(2H-tetrazol-5-yl)pentan-2-one has a molecular weight of 154.17 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 59450617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).