3-amino-2,5-dihydro-1H-pyrazin-6-one

C4H7N3O — CID 70097692

IUPAC3-amino-2,5-dihydro-1H-pyrazin-6-one
SMILESNC1=NCC(=O)NC1
InChIInChI=1S/C4H7N3O/c5-3-1-7-4(8)2-6-3/h1-2H2,(H2,5,6)(H,7,8)
InChIKeyWJLPHZIMWIXZFA-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.53
Rot. Bonds

About 3-amino-2,5-dihydro-1H-pyrazin-6-one

3-amino-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 70097692) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-amino-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name3-amino-2,5-dihydro-1H-pyrazin-6-one
PubChem CID70097692
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name3-amino-2,5-dihydro-1H-pyrazin-6-one
SMILESNC1=NCC(=O)NC1
InChIInChI=1S/C4H7N3O/c5-3-1-7-4(8)2-6-3/h1-2H2,(H2,5,6)(H,7,8)
InChIKeyWJLPHZIMWIXZFA-UHFFFAOYSA-N
XLogP-1.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of 3-amino-2,5-dihydro-1H-pyrazin-6-one (CID 70097692) is 3-amino-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 3-amino-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 3-amino-2,5-dihydro-1H-pyrazin-6-one is NC1=NCC(=O)NC1.
What is the InChIKey of 3-amino-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is WJLPHZIMWIXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-3-1-7-4(8)2-6-3/h1-2H2,(H2,5,6)(H,7,8).
What are the key properties of 3-amino-2,5-dihydro-1H-pyrazin-6-one?
3-amino-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 113.12 g/mol, XLogP of -1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 70097692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).