5-(2-aminoethyl)-1H-pyrazin-2-one

C6H9N3O — CID 67418746

IUPAC5-(2-aminoethyl)-1H-pyrazin-2-one
SMILESNCCc1c[nH]c(=O)cn1
InChIInChI=1S/C6H9N3O/c7-2-1-5-3-9-6(10)4-8-5/h3-4H,1-2,7H2,(H,9,10)
InChIKeyPMNZRQQODXYNLU-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.73
Rot. Bonds2

About 5-(2-aminoethyl)-1H-pyrazin-2-one

5-(2-aminoethyl)-1H-pyrazin-2-one (PubChem CID 67418746) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1H-pyrazin-2-one
PubChem CID67418746
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-(2-aminoethyl)-1H-pyrazin-2-one
SMILESNCCc1c[nH]c(=O)cn1
InChIInChI=1S/C6H9N3O/c7-2-1-5-3-9-6(10)4-8-5/h3-4H,1-2,7H2,(H,9,10)
InChIKeyPMNZRQQODXYNLU-UHFFFAOYSA-N
XLogP-0.73
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(2-aminoethyl)-1H-pyrazin-2-one (CID 67418746) is 5-(2-aminoethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1H-pyrazin-2-one is NCCc1c[nH]c(=O)cn1.
What is the InChIKey of 5-(2-aminoethyl)-1H-pyrazin-2-one?
The InChIKey is PMNZRQQODXYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-2-1-5-3-9-6(10)4-8-5/h3-4H,1-2,7H2,(H,9,10).
What are the key properties of 5-(2-aminoethyl)-1H-pyrazin-2-one?
5-(2-aminoethyl)-1H-pyrazin-2-one has a molecular weight of 139.16 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 67418746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).