3-(aminomethyl)-1H-pyrazin-2-one

C5H7N3O — CID 62674128

IUPAC3-(aminomethyl)-1H-pyrazin-2-one
SMILESNCc1ncc[nH]c1=O
InChIInChI=1S/C5H7N3O/c6-3-4-5(9)8-2-1-7-4/h1-2H,3,6H2,(H,8,9)
InChIKeyRXSOHHVGRICWCD-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.77
Rot. Bonds1

About 3-(aminomethyl)-1H-pyrazin-2-one

3-(aminomethyl)-1H-pyrazin-2-one (PubChem CID 62674128) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-(aminomethyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1H-pyrazin-2-one
PubChem CID62674128
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3-(aminomethyl)-1H-pyrazin-2-one
SMILESNCc1ncc[nH]c1=O
InChIInChI=1S/C5H7N3O/c6-3-4-5(9)8-2-1-7-4/h1-2H,3,6H2,(H,8,9)
InChIKeyRXSOHHVGRICWCD-UHFFFAOYSA-N
XLogP-0.77
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(aminomethyl)-1H-pyrazin-2-one (CID 62674128) is 3-(aminomethyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(aminomethyl)-1H-pyrazin-2-one is NCc1ncc[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-1H-pyrazin-2-one?
The InChIKey is RXSOHHVGRICWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-3-4-5(9)8-2-1-7-4/h1-2H,3,6H2,(H,8,9).
What are the key properties of 3-(aminomethyl)-1H-pyrazin-2-one?
3-(aminomethyl)-1H-pyrazin-2-one has a molecular weight of 125.13 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1H-pyrazin-2-one is sourced from PubChem (CID 62674128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).