1-(2-ethyltetrazol-5-yl)ethanone

C5H8N4O — CID 84762601

IUPAC1-(2-ethyltetrazol-5-yl)ethanone
SMILESCCn1nnc(C(C)=O)n1
InChIInChI=1S/C5H8N4O/c1-3-9-7-5(4(2)10)6-8-9/h3H2,1-2H3
InChIKeyWOKNXOZMDZNGPE-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.10
Rot. Bonds2

About 1-(2-ethyltetrazol-5-yl)ethanone

1-(2-ethyltetrazol-5-yl)ethanone (PubChem CID 84762601) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-(2-ethyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyltetrazol-5-yl)ethanone
PubChem CID84762601
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-(2-ethyltetrazol-5-yl)ethanone
SMILESCCn1nnc(C(C)=O)n1
InChIInChI=1S/C5H8N4O/c1-3-9-7-5(4(2)10)6-8-9/h3H2,1-2H3
InChIKeyWOKNXOZMDZNGPE-UHFFFAOYSA-N
XLogP-0.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-ethyltetrazol-5-yl)ethanone (CID 84762601) is 1-(2-ethyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-ethyltetrazol-5-yl)ethanone is CCn1nnc(C(C)=O)n1.
What is the InChIKey of 1-(2-ethyltetrazol-5-yl)ethanone?
The InChIKey is WOKNXOZMDZNGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-9-7-5(4(2)10)6-8-9/h3H2,1-2H3.
What are the key properties of 1-(2-ethyltetrazol-5-yl)ethanone?
1-(2-ethyltetrazol-5-yl)ethanone has a molecular weight of 140.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyltetrazol-5-yl)ethanone is sourced from PubChem (CID 84762601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).