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

C6H11N5O — CID 84765547

IUPAC1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone
SMILESCCn1nnc(C(=O)CNC)n1
InChIInChI=1S/C6H11N5O/c1-3-11-9-6(8-10-11)5(12)4-7-2/h7H,3-4H2,1-2H3
InChIKeyPJFMNQRLFLVYRU-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.90
Rot. Bonds4

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

1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone (PubChem CID 84765547) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone
PubChem CID84765547
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone
SMILESCCn1nnc(C(=O)CNC)n1
InChIInChI=1S/C6H11N5O/c1-3-11-9-6(8-10-11)5(12)4-7-2/h7H,3-4H2,1-2H3
InChIKeyPJFMNQRLFLVYRU-UHFFFAOYSA-N
XLogP-0.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone (CID 84765547) is 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone is CCn1nnc(C(=O)CNC)n1.
What is the InChIKey of 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone?
The InChIKey is PJFMNQRLFLVYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-3-11-9-6(8-10-11)5(12)4-7-2/h7H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone?
1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone has a molecular weight of 169.19 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyltetrazol-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 84765547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).