2-(2H-tetrazol-5-yl)pentan-3-one

C6H10N4O — CID 58062083

IUPAC2-(2H-tetrazol-5-yl)pentan-3-one
SMILESCCC(=O)C(C)c1nn[nH]n1
InChIInChI=1S/C6H10N4O/c1-3-5(11)4(2)6-7-9-10-8-6/h4H,3H2,1-2H3,(H,7,8,9,10)
InChIKeyBCESSEFWRAHYIN-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.28
Rot. Bonds3

About 2-(2H-tetrazol-5-yl)pentan-3-one

2-(2H-tetrazol-5-yl)pentan-3-one (PubChem CID 58062083) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)pentan-3-one
PubChem CID58062083
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-(2H-tetrazol-5-yl)pentan-3-one
SMILESCCC(=O)C(C)c1nn[nH]n1
InChIInChI=1S/C6H10N4O/c1-3-5(11)4(2)6-7-9-10-8-6/h4H,3H2,1-2H3,(H,7,8,9,10)
InChIKeyBCESSEFWRAHYIN-UHFFFAOYSA-N
XLogP0.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)pentan-3-one?
The IUPAC name of 2-(2H-tetrazol-5-yl)pentan-3-one (CID 58062083) is 2-(2H-tetrazol-5-yl)pentan-3-one.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)pentan-3-one?
The canonical SMILES for 2-(2H-tetrazol-5-yl)pentan-3-one is CCC(=O)C(C)c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)pentan-3-one?
The InChIKey is BCESSEFWRAHYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-3-5(11)4(2)6-7-9-10-8-6/h4H,3H2,1-2H3,(H,7,8,9,10).
What are the key properties of 2-(2H-tetrazol-5-yl)pentan-3-one?
2-(2H-tetrazol-5-yl)pentan-3-one has a molecular weight of 154.17 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)pentan-3-one is sourced from PubChem (CID 58062083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).