2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone

C5H9N5O — CID 84650138

IUPAC2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone
SMILESCNCC(=O)c1nnn(C)n1
InChIInChI=1S/C5H9N5O/c1-6-3-4(11)5-7-9-10(2)8-5/h6H,3H2,1-2H3
InChIKeyUXZIAUSILMNJRT-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.39
Rot. Bonds3

About 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone

2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone (PubChem CID 84650138) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone
PubChem CID84650138
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone
SMILESCNCC(=O)c1nnn(C)n1
InChIInChI=1S/C5H9N5O/c1-6-3-4(11)5-7-9-10(2)8-5/h6H,3H2,1-2H3
InChIKeyUXZIAUSILMNJRT-UHFFFAOYSA-N
XLogP-1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone (CID 84650138) is 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone is CNCC(=O)c1nnn(C)n1.
What is the InChIKey of 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is UXZIAUSILMNJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-6-3-4(11)5-7-9-10(2)8-5/h6H,3H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone?
2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 155.16 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 84650138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).