3-amino-6-methoxy-1H-pyrazin-2-one

C5H7N3O2 — CID 168950726

IUPAC3-amino-6-methoxy-1H-pyrazin-2-one
SMILESCOc1cnc(N)c(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-10-3-2-7-4(6)5(9)8-3/h2H,1H3,(H2,6,7)(H,8,9)
InChIKeyLZAVGYVCXVWKKI-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.64
Rot. Bonds1

About 3-amino-6-methoxy-1H-pyrazin-2-one

3-amino-6-methoxy-1H-pyrazin-2-one (PubChem CID 168950726) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-amino-6-methoxy-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-6-methoxy-1H-pyrazin-2-one
PubChem CID168950726
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-amino-6-methoxy-1H-pyrazin-2-one
SMILESCOc1cnc(N)c(=O)[nH]1
InChIInChI=1S/C5H7N3O2/c1-10-3-2-7-4(6)5(9)8-3/h2H,1H3,(H2,6,7)(H,8,9)
InChIKeyLZAVGYVCXVWKKI-UHFFFAOYSA-N
XLogP-0.64
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-1H-pyrazin-2-one?
The IUPAC name of 3-amino-6-methoxy-1H-pyrazin-2-one (CID 168950726) is 3-amino-6-methoxy-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-6-methoxy-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-6-methoxy-1H-pyrazin-2-one is COc1cnc(N)c(=O)[nH]1.
What is the InChIKey of 3-amino-6-methoxy-1H-pyrazin-2-one?
The InChIKey is LZAVGYVCXVWKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-10-3-2-7-4(6)5(9)8-3/h2H,1H3,(H2,6,7)(H,8,9).
What are the key properties of 3-amino-6-methoxy-1H-pyrazin-2-one?
3-amino-6-methoxy-1H-pyrazin-2-one has a molecular weight of 141.13 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-1H-pyrazin-2-one is sourced from PubChem (CID 168950726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).