ethane;1-(2H-tetrazol-5-yl)ethanone

C5H10N4O — CID 144859129

IUPACethane;1-(2H-tetrazol-5-yl)ethanone
SMILESCC.CC(=O)c1nn[nH]n1
InChIInChI=1S/C3H4N4O.C2H6/c1-2(8)3-4-6-7-5-3;1-2/h1H3,(H,4,5,6,7);1-2H3
InChIKeySODVKUUHPOJOQZ-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.43
Rot. Bonds1

About ethane;1-(2H-tetrazol-5-yl)ethanone

ethane;1-(2H-tetrazol-5-yl)ethanone (PubChem CID 144859129) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is ethane;1-(2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(2H-tetrazol-5-yl)ethanone
PubChem CID144859129
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Nameethane;1-(2H-tetrazol-5-yl)ethanone
SMILESCC.CC(=O)c1nn[nH]n1
InChIInChI=1S/C3H4N4O.C2H6/c1-2(8)3-4-6-7-5-3;1-2/h1H3,(H,4,5,6,7);1-2H3
InChIKeySODVKUUHPOJOQZ-UHFFFAOYSA-N
XLogP0.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2H-tetrazol-5-yl)ethanone?
The IUPAC name of ethane;1-(2H-tetrazol-5-yl)ethanone (CID 144859129) is ethane;1-(2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for ethane;1-(2H-tetrazol-5-yl)ethanone?
The canonical SMILES for ethane;1-(2H-tetrazol-5-yl)ethanone is CC.CC(=O)c1nn[nH]n1.
What is the InChIKey of ethane;1-(2H-tetrazol-5-yl)ethanone?
The InChIKey is SODVKUUHPOJOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O.C2H6/c1-2(8)3-4-6-7-5-3;1-2/h1H3,(H,4,5,6,7);1-2H3.
What are the key properties of ethane;1-(2H-tetrazol-5-yl)ethanone?
ethane;1-(2H-tetrazol-5-yl)ethanone has a molecular weight of 142.16 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 144859129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).