2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone

C6H11N5O — CID 84653396

IUPAC2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone
SMILESCC(C)n1nnc(C(=O)CN)n1
InChIInChI=1S/C6H11N5O/c1-4(2)11-9-6(8-10-11)5(12)3-7/h4H,3,7H2,1-2H3
InChIKeyAEUBWFRNLMZMMI-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.60
Rot. Bonds3

About 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone

2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone (PubChem CID 84653396) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone
PubChem CID84653396
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone
SMILESCC(C)n1nnc(C(=O)CN)n1
InChIInChI=1S/C6H11N5O/c1-4(2)11-9-6(8-10-11)5(12)3-7/h4H,3,7H2,1-2H3
InChIKeyAEUBWFRNLMZMMI-UHFFFAOYSA-N
XLogP-0.60
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone?
The IUPAC name of 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone (CID 84653396) is 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone is CC(C)n1nnc(C(=O)CN)n1.
What is the InChIKey of 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone?
The InChIKey is AEUBWFRNLMZMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(2)11-9-6(8-10-11)5(12)3-7/h4H,3,7H2,1-2H3.
What are the key properties of 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone?
2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone has a molecular weight of 169.19 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-yltetrazol-5-yl)ethanone is sourced from PubChem (CID 84653396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).