2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one

C10H9ClN4O2 — CID 103054669

IUPAC2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(Cc2cnc(Cl)cn2)n1
InChIInChI=1S/C10H9ClN4O2/c1-17-9-2-3-10(16)15(14-9)6-7-4-13-8(11)5-12-7/h2-5H,6H2,1H3
InChIKeyLAUZWKSGSIKPHH-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.74
Rot. Bonds3

About 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one

2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one (PubChem CID 103054669) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one
PubChem CID103054669
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(Cc2cnc(Cl)cn2)n1
InChIInChI=1S/C10H9ClN4O2/c1-17-9-2-3-10(16)15(14-9)6-7-4-13-8(11)5-12-7/h2-5H,6H2,1H3
InChIKeyLAUZWKSGSIKPHH-UHFFFAOYSA-N
XLogP0.74
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one (CID 103054669) is 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one is COc1ccc(=O)n(Cc2cnc(Cl)cn2)n1.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one?
The InChIKey is LAUZWKSGSIKPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-9-2-3-10(16)15(14-9)6-7-4-13-8(11)5-12-7/h2-5H,6H2,1H3.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one?
2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one has a molecular weight of 252.66 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 103054669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).