1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione

C10H9ClN4O2 — CID 103054552

IUPAC1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2cnc(Cl)cn2)c(=O)c1=O
InChIInChI=1S/C10H9ClN4O2/c1-14-2-3-15(10(17)9(14)16)6-7-4-13-8(11)5-12-7/h2-5H,6H2,1H3
InChIKeyLAKZVQRIVVVQTP-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.04
Rot. Bonds2

About 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione

1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione (PubChem CID 103054552) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione
PubChem CID103054552
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(Cc2cnc(Cl)cn2)c(=O)c1=O
InChIInChI=1S/C10H9ClN4O2/c1-14-2-3-15(10(17)9(14)16)6-7-4-13-8(11)5-12-7/h2-5H,6H2,1H3
InChIKeyLAKZVQRIVVVQTP-UHFFFAOYSA-N
XLogP0.04
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione (CID 103054552) is 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione is Cn1ccn(Cc2cnc(Cl)cn2)c(=O)c1=O.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione?
The InChIKey is LAKZVQRIVVVQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-14-2-3-15(10(17)9(14)16)6-7-4-13-8(11)5-12-7/h2-5H,6H2,1H3.
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione?
1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione has a molecular weight of 252.66 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 103054552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).